1-(1H-imidazol-2-yl)-3-phenylpentan-2-one

C14H16N2O — CID 43162765

IUPAC1-(1H-imidazol-2-yl)-3-phenylpentan-2-one
SMILESCCC(C(=O)Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-2-12(11-6-4-3-5-7-11)13(17)10-14-15-8-9-16-14/h3-9,12H,2,10H2,1H3,(H,15,16)
InChIKeyOAENLDGLCAMHNF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.72
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one

1-(1H-imidazol-2-yl)-3-phenylpentan-2-one (PubChem CID 43162765) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-3-phenylpentan-2-one
PubChem CID43162765
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(1H-imidazol-2-yl)-3-phenylpentan-2-one
SMILESCCC(C(=O)Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-2-12(11-6-4-3-5-7-11)13(17)10-14-15-8-9-16-14/h3-9,12H,2,10H2,1H3,(H,15,16)
InChIKeyOAENLDGLCAMHNF-UHFFFAOYSA-N
XLogP2.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-yl)-2-phenylbutanamide
CID 60967236
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-one
CID 114967713
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
2-phenyl-1-(1H-pyrrol-2-yl)butan-1-one
CID 63748008
(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573
2-(1H-imidazol-2-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43162758
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
6-methylidene-3-phenyloctan-4-one
CID 115781087
(2R)-2-phenylbutanamide
CID 139147476
3-phenyltetradecan-4-one
CID 114968845
1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one
CID 115797326

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one?
The IUPAC name of 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one (CID 43162765) is 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one?
The canonical SMILES for 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one is CCC(C(=O)Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one?
The InChIKey is OAENLDGLCAMHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-12(11-6-4-3-5-7-11)13(17)10-14-15-8-9-16-14/h3-9,12H,2,10H2,1H3,(H,15,16).
What are the key properties of 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one?
1-(1H-imidazol-2-yl)-3-phenylpentan-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-3-phenylpentan-2-one is sourced from PubChem (CID 43162765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).