N-(3-acetylphenyl)imidazole-1-carboxamide

C12H11N3O2 — CID 81258078

IUPACN-(3-acetylphenyl)imidazole-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)n2ccnc2)c1
InChIInChI=1S/C12H11N3O2/c1-9(16)10-3-2-4-11(7-10)14-12(17)15-6-5-13-8-15/h2-8H,1H3,(H,14,17)
InChIKeyNZPOODGHYMCVRJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.17
Rot. Bonds2

About N-(3-acetylphenyl)imidazole-1-carboxamide

N-(3-acetylphenyl)imidazole-1-carboxamide (PubChem CID 81258078) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(3-acetylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)imidazole-1-carboxamide
PubChem CID81258078
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(3-acetylphenyl)imidazole-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)n2ccnc2)c1
InChIInChI=1S/C12H11N3O2/c1-9(16)10-3-2-4-11(7-10)14-12(17)15-6-5-13-8-15/h2-8H,1H3,(H,14,17)
InChIKeyNZPOODGHYMCVRJ-UHFFFAOYSA-N
XLogP2.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
CID 81270282
N-[3-(1,3-oxazol-5-yl)phenyl]imidazole-1-carboxamide
CID 81257187
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
CID 164927407
N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide
CID 81257159
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazole-1-carboxamide
CID 81257810
N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
CID 81257543
N-(4-nitrophenyl)imidazole-1-carboxamide
CID 14907723
N-(3-acetylphenyl)imidazo[1,5-a]pyridine-7-carboxamide
CID 84578226
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81257574
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)imidazole-1-carboxamide (CID 81258078) is N-(3-acetylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)imidazole-1-carboxamide is CC(=O)c1cccc(NC(=O)n2ccnc2)c1.
What is the InChIKey of N-(3-acetylphenyl)imidazole-1-carboxamide?
The InChIKey is NZPOODGHYMCVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-9(16)10-3-2-4-11(7-10)14-12(17)15-6-5-13-8-15/h2-8H,1H3,(H,14,17).
What are the key properties of N-(3-acetylphenyl)imidazole-1-carboxamide?
N-(3-acetylphenyl)imidazole-1-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81258078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).