2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid

C16H14N2O2 — CID 115932661

IUPAC2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid
SMILESCc1ccccc1-n1c(C)nc2cccc(C(=O)O)c21
InChIInChI=1S/C16H14N2O2/c1-10-6-3-4-9-14(10)18-11(2)17-13-8-5-7-12(15(13)18)16(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyDMJPRBFAWJQCHC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.34
Rot. Bonds2

About 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid

2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid (PubChem CID 115932661) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid
PubChem CID115932661
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid
SMILESCc1ccccc1-n1c(C)nc2cccc(C(=O)O)c21
InChIInChI=1S/C16H14N2O2/c1-10-6-3-4-9-14(10)18-11(2)17-13-8-5-7-12(15(13)18)16(19)20/h3-9H,1-2H3,(H,19,20)
InChIKeyDMJPRBFAWJQCHC-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932667
3-(2-chloro-4-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932773
3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107530329
3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 107464237
CID 131876705
CID 131876705
3-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576710
2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 112577261
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342
2-methyl-3-[2-(methylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 112577140
2-methyl-3-(2-methylsulfanylethyl)benzimidazole-4-carboxylic acid
CID 112577314
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 115933139
2-methyl-3-[1-(methylamino)-1-oxopropan-2-yl]benzimidazole-4-carboxylic acid
CID 112577197

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid (CID 115932661) is 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid is Cc1ccccc1-n1c(C)nc2cccc(C(=O)O)c21.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid?
The InChIKey is DMJPRBFAWJQCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-6-3-4-9-14(10)18-11(2)17-13-8-5-7-12(15(13)18)16(19)20/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid?
2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115932661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).