4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide

C17H13N3O2 — CID 564890

IUPAC4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide
SMILESO=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13N3O2/c21-16(12-7-3-1-4-8-12)14-15(19-11-18-14)17(22)20-13-9-5-2-6-10-13/h1-11H,(H,18,19)(H,20,22)
InChIKeyPGYSTOJSBUHNRA-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.89
Rot. Bonds4

About 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide

4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide (PubChem CID 564890) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide
PubChem CID564890
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide
SMILESO=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13N3O2/c21-16(12-7-3-1-4-8-12)14-15(19-11-18-14)17(22)20-13-9-5-2-6-10-13/h1-11H,(H,18,19)(H,20,22)
InChIKeyPGYSTOJSBUHNRA-UHFFFAOYSA-N
XLogP2.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide (CID 564890) is 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide is O=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccc1.
What is the InChIKey of 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide?
The InChIKey is PGYSTOJSBUHNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16(12-7-3-1-4-8-12)14-15(19-11-18-14)17(22)20-13-9-5-2-6-10-13/h1-11H,(H,18,19)(H,20,22).
What are the key properties of 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide?
4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-phenyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 564890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).