4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid

C16H14N2O2 — CID 6498814

IUPAC4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
SMILESCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14N2O2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(9-7-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyRGXRFHCPXAMACK-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.09
Rot. Bonds3

About 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid

4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 6498814) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
PubChem CID6498814
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
SMILESCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14N2O2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(9-7-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyRGXRFHCPXAMACK-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 94723430
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 18681123
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
1-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]-3-phenylthiourea
CID 5470588
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43244444
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid (CID 6498814) is 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid is Cc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is RGXRFHCPXAMACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(9-7-12)16(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid?
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid has a molecular weight of 266.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 6498814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).