6-methoxy-3-phenylbenzimidazole-5-carboxylic acid

C15H12N2O3 — CID 5328530

IUPAC6-methoxy-3-phenylbenzimidazole-5-carboxylic acid
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1C(=O)O
InChIInChI=1S/C15H12N2O3/c1-20-14-8-12-13(7-11(14)15(18)19)17(9-16-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)
InChIKeyKUEFIOPBQNNRCA-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.73
Rot. Bonds3

About 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid

6-methoxy-3-phenylbenzimidazole-5-carboxylic acid (PubChem CID 5328530) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-phenylbenzimidazole-5-carboxylic acid
PubChem CID5328530
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-methoxy-3-phenylbenzimidazole-5-carboxylic acid
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1C(=O)O
InChIInChI=1S/C15H12N2O3/c1-20-14-8-12-13(7-11(14)15(18)19)17(9-16-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)
InChIKeyKUEFIOPBQNNRCA-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
5-methoxy-6-methyl-1-phenyl-1H-1,3-benzodiazole
CID 5328528
5-Substituted 1-Phenylbenzimidazole 42
CID 5328532
5-Substituted 1-Phenylbenzimidazole 43
CID 5328533
5-Substituted 1-Phenylbenzimidazole 44
CID 5328534
2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
CID 491098
1-Cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
(2e)-2-(3-Fluoranyl-4-Methoxy-Phenyl)imino-1-[[2-(Trifluoromethyl)phenyl]methyl]-3h-Benzimidazole-5-Carboxylic Acid
CID 25165666
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
5-Substituted 1-Phenylbenzimidazole 41
CID 5328531
2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxylic acid
CID 25164463

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid?
The IUPAC name of 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid (CID 5328530) is 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid is COc1cc2ncn(-c3ccccc3)c2cc1C(=O)O.
What is the InChIKey of 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid?
The InChIKey is KUEFIOPBQNNRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-14-8-12-13(7-11(14)15(18)19)17(9-16-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19).
What are the key properties of 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid?
6-methoxy-3-phenylbenzimidazole-5-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 5328530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).