2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid

C17H12N4O2 — CID 11738240

IUPAC2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1
InChIInChI=1S/C17H12N4O2/c22-17(23)10-5-6-13-14(9-10)21-16(20-13)12-4-2-1-3-11(12)15-18-7-8-19-15/h1-9H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyNLIOKUPQRYAXDX-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.32
Rot. Bonds3

About 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid

2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 11738240) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
PubChem CID11738240
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1
InChIInChI=1S/C17H12N4O2/c22-17(23)10-5-6-13-14(9-10)21-16(20-13)12-4-2-1-3-11(12)15-18-7-8-19-15/h1-9H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyNLIOKUPQRYAXDX-UHFFFAOYSA-N
XLogP3.32
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 11325864
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 11313172
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 67112516
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 156760820
2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 46990564
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid (CID 11738240) is 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is NLIOKUPQRYAXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-17(23)10-5-6-13-14(9-10)21-16(20-13)12-4-2-1-3-11(12)15-18-7-8-19-15/h1-9H,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid?
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 304.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 11738240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).