3-imidazol-1-yl-N-phenylbutanamide

C13H15N3O — CID 4876350

IUPAC3-imidazol-1-yl-N-phenylbutanamide
SMILESCC(CC(=O)Nc1ccccc1)n1ccnc1
InChIInChI=1S/C13H15N3O/c1-11(16-8-7-14-10-16)9-13(17)15-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,15,17)
InChIKeyGPXFAKIOKWJEMV-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.47
Rot. Bonds4

About 3-imidazol-1-yl-N-phenylbutanamide

3-imidazol-1-yl-N-phenylbutanamide (PubChem CID 4876350) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-phenylbutanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-phenylbutanamide
PubChem CID4876350
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-imidazol-1-yl-N-phenylbutanamide
SMILESCC(CC(=O)Nc1ccccc1)n1ccnc1
InChIInChI=1S/C13H15N3O/c1-11(16-8-7-14-10-16)9-13(17)15-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,15,17)
InChIKeyGPXFAKIOKWJEMV-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylimidazole
CID 81595
4-(1H-imidazol-1-yl)aniline
CID 320165
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
Imidazole-4-carboxanilide
CID 312385
N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
CID 3107634
2-(1H-imidazol-1-yl)aniline
CID 320166
1-(3-Imidazol-1-ylpropyl)-3-phenylthiourea
CID 2882201
1-[4-(dimethylamino)phenyl]-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539186
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
1-(2-bromoethyl)-N-phenyl-1H-imidazole-4-carboxamide
CID 1240012
N-[4-(acetylamino)phenyl]-3-(1H-imidazol-1-yl)butanamide
CID 24761528
N-(3-acetylphenyl)-3-(1H-imidazol-1-yl)butanamide
CID 24761534

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-phenylbutanamide?
The IUPAC name of 3-imidazol-1-yl-N-phenylbutanamide (CID 4876350) is 3-imidazol-1-yl-N-phenylbutanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-phenylbutanamide?
The canonical SMILES for 3-imidazol-1-yl-N-phenylbutanamide is CC(CC(=O)Nc1ccccc1)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-phenylbutanamide?
The InChIKey is GPXFAKIOKWJEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-11(16-8-7-14-10-16)9-13(17)15-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,15,17).
What are the key properties of 3-imidazol-1-yl-N-phenylbutanamide?
3-imidazol-1-yl-N-phenylbutanamide has a molecular weight of 229.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-phenylbutanamide is sourced from PubChem (CID 4876350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).