2-methyl-1-phenylbenzimidazole-5-carboxylic acid

C15H12N2O2 — CID 619926

IUPAC2-methyl-1-phenylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1ccccc1
InChIInChI=1S/C15H12N2O2/c1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19)
InChIKeyHLIJMHKQYSUDOJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.03
Rot. Bonds2

About 2-methyl-1-phenylbenzimidazole-5-carboxylic acid

2-methyl-1-phenylbenzimidazole-5-carboxylic acid (PubChem CID 619926) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-1-phenylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-phenylbenzimidazole-5-carboxylic acid
PubChem CID619926
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-methyl-1-phenylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1ccccc1
InChIInChI=1S/C15H12N2O2/c1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19)
InChIKeyHLIJMHKQYSUDOJ-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-1-phenylbenzimidazole-5-carboxylic acid (CID 619926) is 2-methyl-1-phenylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1-phenylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-1-phenylbenzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylbenzimidazole-5-carboxylic acid?
The InChIKey is HLIJMHKQYSUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19).
What are the key properties of 2-methyl-1-phenylbenzimidazole-5-carboxylic acid?
2-methyl-1-phenylbenzimidazole-5-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 619926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).