2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid

C16H12N2O3 — CID 24998965

IUPAC2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H12N2O3/c19-15(20)13-14(11-7-3-1-4-8-11)18(16(21)17-13)12-9-5-2-6-10-12/h1-10H,(H,17,21)(H,19,20)
InChIKeySYIHVSDUNJYKLI-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.53
Rot. Bonds3

About 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid

2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid (PubChem CID 24998965) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid
PubChem CID24998965
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H12N2O3/c19-15(20)13-14(11-7-3-1-4-8-11)18(16(21)17-13)12-9-5-2-6-10-12/h1-10H,(H,17,21)(H,19,20)
InChIKeySYIHVSDUNJYKLI-UHFFFAOYSA-N
XLogP2.53
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid (CID 24998965) is 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]c(=O)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid?
The InChIKey is SYIHVSDUNJYKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15(20)13-14(11-7-3-1-4-8-11)18(16(21)17-13)12-9-5-2-6-10-12/h1-10H,(H,17,21)(H,19,20).
What are the key properties of 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid?
2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 24998965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).