3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid

C23H19N3O3 — CID 18680858

IUPAC3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O3/c1-15-24-19-13-12-18(23(28)29)14-20(19)26(15)21(16-8-4-2-5-9-16)25-22(27)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,25,27)(H,28,29)
InChIKeyIUGYGYGUHCXTLJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.02
Rot. Bonds5

About 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid

3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 18680858) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
PubChem CID18680858
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O3/c1-15-24-19-13-12-18(23(28)29)14-20(19)26(15)21(16-8-4-2-5-9-16)25-22(27)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,25,27)(H,28,29)
InChIKeyIUGYGYGUHCXTLJ-UHFFFAOYSA-N
XLogP4.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid
CID 82770584
3-(1-methoxy-3-methyl-1-oxobutan-2-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 82774585
3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid
CID 57260132
2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid
CID 82790543
2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82773786
3-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzimidazole-5-carboxylic acid
CID 103112857
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
3-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770415
N-(2-methylbenzimidazol-1-yl)benzamide
CID 71380365
3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid
CID 10083635
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906
2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 18681123

Frequently Asked Questions

What is the IUPAC name of 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid (CID 18680858) is 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1C(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is IUGYGYGUHCXTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-24-19-13-12-18(23(28)29)14-20(19)26(15)21(16-8-4-2-5-9-16)25-22(27)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,25,27)(H,28,29).
What are the key properties of 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid?
3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 18680858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).