N-(1H-imidazol-2-yl)-2-phenylbutanamide

C13H15N3O — CID 60967236

IUPACN-(1H-imidazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-11(10-6-4-3-5-7-10)12(17)16-13-14-8-9-15-13/h3-9,11H,2H2,1H3,(H2,14,15,16,17)
InChIKeyJGLUJIZUTRMKOP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.54
Rot. Bonds4

About N-(1H-imidazol-2-yl)-2-phenylbutanamide

N-(1H-imidazol-2-yl)-2-phenylbutanamide (PubChem CID 60967236) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-phenylbutanamide
PubChem CID60967236
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1H-imidazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-11(10-6-4-3-5-7-10)12(17)16-13-14-8-9-15-13/h3-9,11H,2H2,1H3,(H2,14,15,16,17)
InChIKeyJGLUJIZUTRMKOP-UHFFFAOYSA-N
XLogP2.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazol-2-yl)-3-phenylpentan-2-one
CID 43162765
4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 63563168
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416
2-ethyl-N-(1H-imidazol-2-yl)hexanamide
CID 63565385
(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide
CID 104871611
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-phenylbutanamide (CID 60967236) is N-(1H-imidazol-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-phenylbutanamide is CCC(C(=O)Nc1ncc[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-phenylbutanamide?
The InChIKey is JGLUJIZUTRMKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-11(10-6-4-3-5-7-10)12(17)16-13-14-8-9-15-13/h3-9,11H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(1H-imidazol-2-yl)-2-phenylbutanamide?
N-(1H-imidazol-2-yl)-2-phenylbutanamide has a molecular weight of 229.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 60967236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).