CAS No.: 3543-73-5 — 1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester (5-氨基-1-甲基-1H-苯并咪唑-2-丁酸乙酯)

1. Primary Information

English name:	1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester
CAS No.:	3543-73-5
Molecular formula:	C₁₄H₁₉N₃O₂
Molecular weight:	261.32 g/mol
SMILES:	CCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N
Structural class:
Other identifiers:	H 102 09 H-102-09 H10209 Hydrochloride, Zimeldine Hydrochloride, Zimelidine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	160	2-8℃	in stock	-
Kehua Intelligence	1g	98%	51	2-8℃	in stock	-
Kehua Intelligence	5g	98%	192	2-8℃	in stock	-
Kehua Intelligence	25g	98%	576	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 39 0 0 0 0 0 0 0999 V2000 -2.8764 -1.2277 -0.4326 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5091 0.2945 0.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 1.7950 0.1755 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1485 -0.1519 0.7443 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3284 -2.6164 -0.1946 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3476 1.8612 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 1.1398 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 2.2077 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0492 0.8638 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4572 -0.3431 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 0.9912 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1741 3.2147 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 0.9706 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2161 -1.5240 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5475 -1.4409 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1137 -0.2147 -0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 0.0101 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 -2.2642 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 -3.5655 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1453 2.7761 1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 1.2296 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6328 2.9024 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 2.7360 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7018 0.4849 -1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 1.3133 -2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 3.4379 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 3.7664 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 3.5014 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 1.9179 -0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7729 -2.4759 0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1496 -0.1661 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2907 -2.5669 -0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 -3.5077 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -2.0079 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 -2.3669 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 -3.8266 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8434 -3.4718 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 -4.3814 0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 17 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 15 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 16 2 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

ethyl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate

4.2 InChI

InChI=1S/C14H19N3O2/c1-3-19-14(18)6-4-5-13-16-11-9-10(15)7-8-12(11)17(13)2/h7-9H,3-6,15H2,1-2H3

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)