2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid

C21H16N2O3 — CID 58073812

IUPAC2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4cccc(O)c4)cc3)[nH]c2c1
InChIInChI=1S/C21H16N2O3/c1-12-9-17(21(25)26)19-18(10-12)22-20(23-19)14-7-5-13(6-8-14)15-3-2-4-16(24)11-15/h2-11,24H,1H3,(H,22,23)(H,25,26)
InChIKeyOLDHBEHXNFYHIQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.61
Rot. Bonds3

About 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid

2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid (PubChem CID 58073812) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
PubChem CID58073812
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4cccc(O)c4)cc3)[nH]c2c1
InChIInChI=1S/C21H16N2O3/c1-12-9-17(21(25)26)19-18(10-12)22-20(23-19)14-7-5-13(6-8-14)15-3-2-4-16(24)11-15/h2-11,24H,1H3,(H,22,23)(H,25,26)
InChIKeyOLDHBEHXNFYHIQ-UHFFFAOYSA-N
XLogP4.61
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
CID 135546482
2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid
CID 135532896
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic acid
CID 135430716
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(5-cyano-2-hydroxyphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135450094
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(2-fluorophenyl)-4-hydroxyphenyl]butanedioic acid
CID 135453491
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-[3-(hydroxymethyl)phenyl]phenyl]butanedioic acid
CID 135453509
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(3,5-difluorophenyl)-4-hydroxyphenyl]butanedioic acid
CID 135453511
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(2-hydroxyphenyl)phenyl]butanedioic acid
CID 135530536
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(5-fluoro-2-hydroxyphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135530560
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(3-acetylphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135530568
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-methylphenyl)phenyl]butanedioic acid
CID 135532848
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(2-methylphenyl)phenyl]butanedioic acid
CID 135532849

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid (CID 58073812) is 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccc(O)c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is OLDHBEHXNFYHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-12-9-17(21(25)26)19-18(10-12)22-20(23-19)14-7-5-13(6-8-14)15-3-2-4-16(24)11-15/h2-11,24H,1H3,(H,22,23)(H,25,26).
What are the key properties of 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 4.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 58073812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).