methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate

C19H17N3O3 — CID 90331343

IUPACmethyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(NC(=O)C3CC3c3ccccc3)nc12
InChIInChI=1S/C19H17N3O3/c1-25-18(24)12-8-5-9-15-16(12)21-19(20-15)22-17(23)14-10-13(14)11-6-3-2-4-7-11/h2-9,13-14H,10H2,1H3,(H2,20,21,22,23)
InChIKeyORBKZOLHNGTXAQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.09
Rot. Bonds4

About methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate

methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate (PubChem CID 90331343) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate
PubChem CID90331343
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namemethyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(NC(=O)C3CC3c3ccccc3)nc12
InChIInChI=1S/C19H17N3O3/c1-25-18(24)12-8-5-9-15-16(12)21-19(20-15)22-17(23)14-10-13(14)11-6-3-2-4-7-11/h2-9,13-14H,10H2,1H3,(H2,20,21,22,23)
InChIKeyORBKZOLHNGTXAQ-UHFFFAOYSA-N
XLogP3.09
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 90336064
N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90336073
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate
CID 1010270
2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide
CID 71847605
methyl 3-formyl-6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-indole-4-carboxylate
CID 87726402
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049896
methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate
CID 143959536
methyl 2-[(3-ethynylpyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylate
CID 87211815
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
methyl 2-(2-phenylethyl)-1H-benzimidazole-4-carboxylate
CID 115357526

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate (CID 90331343) is methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate is COC(=O)c1cccc2[nH]c(NC(=O)C3CC3c3ccccc3)nc12.
What is the InChIKey of methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate?
The InChIKey is ORBKZOLHNGTXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-18(24)12-8-5-9-15-16(12)21-19(20-15)22-17(23)14-10-13(14)11-6-3-2-4-7-11/h2-9,13-14H,10H2,1H3,(H2,20,21,22,23).
What are the key properties of methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate?
methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 90331343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).