2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid

C16H12N4O2 — CID 71243393

IUPAC2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C16H12N4O2/c1-8-17-11-4-2-9(6-13(11)18-8)15-19-12-5-3-10(16(21)22)7-14(12)20-15/h2-7H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeySAHFNLJYJNKOHX-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.11
Rot. Bonds2

About 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid

2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 71243393) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
PubChem CID71243393
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C16H12N4O2/c1-8-17-11-4-2-9(6-13(11)18-8)15-19-12-5-3-10(16(21)22)7-14(12)20-15/h2-7H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeySAHFNLJYJNKOHX-UHFFFAOYSA-N
XLogP3.11
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-(4-nitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 10612945
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
4-(hydroxymethyl)-3-(2-methyl-3H-benzimidazol-5-yl)benzoic acid
CID 171064454
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 81288878
2-[4-methoxy-3-(methoxymethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 46984084
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742
2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68839327

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid (CID 71243393) is 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid is Cc1nc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is SAHFNLJYJNKOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-8-17-11-4-2-9(6-13(11)18-8)15-19-12-5-3-10(16(21)22)7-14(12)20-15/h2-7H,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid?
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 71243393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).