6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid

C16H14N2O2 — CID 91318855

IUPAC6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ccc(-c2nc3c(C(=O)O)cc(C)cc3[nH]2)cc1
InChIInChI=1S/C16H14N2O2/c1-9-3-5-11(6-4-9)15-17-13-8-10(2)7-12(16(19)20)14(13)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyXEXFGHWRTXKHEG-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.54
Rot. Bonds2

About 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid

6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 91318855) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID91318855
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ccc(-c2nc3c(C(=O)O)cc(C)cc3[nH]2)cc1
InChIInChI=1S/C16H14N2O2/c1-9-3-5-11(6-4-9)15-17-13-8-10(2)7-12(16(19)20)14(13)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyXEXFGHWRTXKHEG-UHFFFAOYSA-N
XLogP3.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46946985
6-methyl-2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46947380
6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide
CID 122182183
2-[4-[4-(2-cyclopentyl-2-oxoethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 58073914
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
2-[4-[4-[(2-cyanophenyl)methyl]phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 58073937
2-ethynyl-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 91601812
6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 84683704
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
2-hexa-2,4-dien-3-yl-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 91304934

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 91318855) is 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1ccc(-c2nc3c(C(=O)O)cc(C)cc3[nH]2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is XEXFGHWRTXKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-3-5-11(6-4-9)15-17-13-8-10(2)7-12(16(19)20)14(13)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 91318855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).