4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid

C12H10N4O2 — CID 136991636

IUPAC4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1cccc2[nH]c(-c3nc[nH]c3C(=O)O)nc12
InChIInChI=1S/C12H10N4O2/c1-6-3-2-4-7-8(6)16-11(15-7)9-10(12(17)18)14-5-13-9/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyAWNXRBOUHXQCRD-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.96
Rot. Bonds2

About 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid

4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 136991636) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
PubChem CID136991636
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1cccc2[nH]c(-c3nc[nH]c3C(=O)O)nc12
InChIInChI=1S/C12H10N4O2/c1-6-3-2-4-7-8(6)16-11(15-7)9-10(12(17)18)14-5-13-9/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyAWNXRBOUHXQCRD-UHFFFAOYSA-N
XLogP1.96
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5-difluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136999132
4-(7H-purin-8-yl)-1H-imidazole-5-carboxylic acid
CID 114401826
4-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1H-imidazole-5-carboxylic acid
CID 116520088
butanedioic acid;2,4-dimethyl-1H-benzimidazole
CID 159349051
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
CID 107983005
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136999130
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid
CID 82386557
4-(4-phenylphenyl)-1H-imidazole-5-carboxylic acid
CID 82303667

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid (CID 136991636) is 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid is Cc1cccc2[nH]c(-c3nc[nH]c3C(=O)O)nc12.
What is the InChIKey of 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is AWNXRBOUHXQCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-6-3-2-4-7-8(6)16-11(15-7)9-10(12(17)18)14-5-13-9/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid?
4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 242.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 136991636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).