4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide

C16H12N4O2 — CID 604408

IUPAC4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide
SMILESO=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccn1
InChIInChI=1S/C16H12N4O2/c21-15(11-6-2-1-3-7-11)13-14(19-10-18-13)16(22)20-12-8-4-5-9-17-12/h1-10H,(H,18,19)(H,17,20,22)
InChIKeyXWEAHMYQJKXLML-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.29
Rot. Bonds4

About 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide

4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide (PubChem CID 604408) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide
PubChem CID604408
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide
SMILESO=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccn1
InChIInChI=1S/C16H12N4O2/c21-15(11-6-2-1-3-7-11)13-14(19-10-18-13)16(22)20-12-8-4-5-9-17-12/h1-10H,(H,18,19)(H,17,20,22)
InChIKeyXWEAHMYQJKXLML-UHFFFAOYSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide (CID 604408) is 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide is O=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccn1.
What is the InChIKey of 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide?
The InChIKey is XWEAHMYQJKXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-15(11-6-2-1-3-7-11)13-14(19-10-18-13)16(22)20-12-8-4-5-9-17-12/h1-10H,(H,18,19)(H,17,20,22).
What are the key properties of 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide?
4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-pyridin-2-yl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 604408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).