2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid

C12H10N4O2 — CID 82373683

IUPAC2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2ccc3nc[nH]c3c2)nc1C(=O)O
InChIInChI=1S/C12H10N4O2/c1-6-10(12(17)18)16-11(15-6)7-2-3-8-9(4-7)14-5-13-8/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyMGXZJTGVUFMATE-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.96
Rot. Bonds2

About 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid

2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid (PubChem CID 82373683) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
PubChem CID82373683
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2ccc3nc[nH]c3c2)nc1C(=O)O
InChIInChI=1S/C12H10N4O2/c1-6-10(12(17)18)16-11(15-6)7-2-3-8-9(4-7)14-5-13-8/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyMGXZJTGVUFMATE-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

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CID 62532949
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2-(3H-benzimidazol-5-yl)-1,3-thiazole-4-carboxylic acid
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[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone
CID 90027627
[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol
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4-(3H-benzimidazol-5-yl)-6-methyl-1H-pyrimidine-2-thione
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2-(3H-benzimidazol-5-yl)phenol
CID 162260962
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid (CID 82373683) is 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid is Cc1[nH]c(-c2ccc3nc[nH]c3c2)nc1C(=O)O.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid?
The InChIKey is MGXZJTGVUFMATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-6-10(12(17)18)16-11(15-6)7-2-3-8-9(4-7)14-5-13-8/h2-5H,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid?
2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-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 2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82373683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).