2-benzyl-1H-benzimidazole-4-carboxamide

C15H13N3O — CID 154521483

IUPAC2-benzyl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(Cc3ccccc3)nc12
InChIInChI=1S/C15H13N3O/c16-15(19)11-7-4-8-12-14(11)18-13(17-12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,19)(H,17,18)
InChIKeyNORCGORSTDPNBI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.25
Rot. Bonds3

About 2-benzyl-1H-benzimidazole-4-carboxamide

2-benzyl-1H-benzimidazole-4-carboxamide (PubChem CID 154521483) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-benzyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-1H-benzimidazole-4-carboxamide
PubChem CID154521483
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-benzyl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(Cc3ccccc3)nc12
InChIInChI=1S/C15H13N3O/c16-15(19)11-7-4-8-12-14(11)18-13(17-12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,19)(H,17,18)
InChIKeyNORCGORSTDPNBI-UHFFFAOYSA-N
XLogP2.25
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-1H-benzimidazole-4-carbonyl chloride
CID 54137883
2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 63032815
2-formyl-1H-benzimidazole-4-carboxamide
CID 131216974
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428214
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
methyl 2-(2-phenylethyl)-1H-benzimidazole-4-carboxylate
CID 115357526
4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid
CID 175326506
2-[(4-carbamoylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide
CID 46214081
2-[(3-fluorophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide
CID 46216616

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-benzyl-1H-benzimidazole-4-carboxamide (CID 154521483) is 2-benzyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-benzyl-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-1H-benzimidazole-4-carboxamide?
The InChIKey is NORCGORSTDPNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-15(19)11-7-4-8-12-14(11)18-13(17-12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,19)(H,17,18).
What are the key properties of 2-benzyl-1H-benzimidazole-4-carboxamide?
2-benzyl-1H-benzimidazole-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 154521483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).