4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide

C17H13N3O2 — CID 16658821

IUPAC4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1-c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H13N3O2/c18-17(22)15-14(19-10-20-15)12-7-4-8-13(9-12)16(21)11-5-2-1-3-6-11/h1-10H,(H2,18,22)(H,19,20)
InChIKeyRAFAQJWJVYDDOB-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.41
Rot. Bonds4

About 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide

4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 16658821) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide
PubChem CID16658821
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1-c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H13N3O2/c18-17(22)15-14(19-10-20-15)12-7-4-8-13(9-12)16(21)11-5-2-1-3-6-11/h1-10H,(H2,18,22)(H,19,20)
InChIKeyRAFAQJWJVYDDOB-UHFFFAOYSA-N
XLogP2.41
TPSA88.84 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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide (CID 16658821) is 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide is NC(=O)c1[nH]cnc1-c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is RAFAQJWJVYDDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-17(22)15-14(19-10-20-15)12-7-4-8-13(9-12)16(21)11-5-2-1-3-6-11/h1-10H,(H2,18,22)(H,19,20).
What are the key properties of 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide?
4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 16658821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).