4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid

C15H12N2O3 — CID 146521368

IUPAC4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H12N2O3/c1-8-2-3-10(14(18)19)6-11(8)9-4-5-12-13(7-9)17-15(20)16-12/h2-7H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFYIBREDVRGOWHR-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.53
Rot. Bonds2

About 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid

4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid (PubChem CID 146521368) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid
PubChem CID146521368
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H12N2O3/c1-8-2-3-10(14(18)19)6-11(8)9-4-5-12-13(7-9)17-15(20)16-12/h2-7H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFYIBREDVRGOWHR-UHFFFAOYSA-N
XLogP2.53
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one
CID 89060824
3-(3,4-diethylphenyl)-4-methylbenzoic acid
CID 115482483
4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
CID 67519519
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylbenzoic acid
CID 90022097
4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzoic acid
CID 136964683
3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid
CID 81476712
3-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzoic acid
CID 87430681
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
4-methyl-3-quinolin-7-ylbenzoic acid
CID 81475808
3-(3-amino-4-benzoylphenyl)-4-methylbenzoic acid
CID 68638646
4-methyl-3-quinazolin-6-ylbenzoic acid
CID 58829177
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid?
The IUPAC name of 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid (CID 146521368) is 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid.
What is the SMILES notation for 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid?
The canonical SMILES for 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid is Cc1ccc(C(=O)O)cc1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid?
The InChIKey is FYIBREDVRGOWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-8-2-3-10(14(18)19)6-11(8)9-4-5-12-13(7-9)17-15(20)16-12/h2-7H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid?
4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid has a molecular weight of 268.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid is sourced from PubChem (CID 146521368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).