3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one

C16H20N2O — CID 113218827

IUPAC3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)c1nccn1C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-4-12(2)14(13-8-6-5-7-9-13)15(19)16-17-10-11-18(16)3/h5-12,14H,4H2,1-3H3
InChIKeyCVLPAXMUWMBWEM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.43
Rot. Bonds5

About 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one

3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one (PubChem CID 113218827) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
PubChem CID113218827
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)c1nccn1C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-4-12(2)14(13-8-6-5-7-9-13)15(19)16-17-10-11-18(16)3/h5-12,14H,4H2,1-3H3
InChIKeyCVLPAXMUWMBWEM-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one
CID 115811755
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
CID 79616410
1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one
CID 115814890
tert-butyl (2S,3S)-2-(4-methoxyanilino)-4-(1-methylimidazol-2-yl)-4-oxo-3-phenylbutanoate
CID 122384106
1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
CID 114972994
3-methyl-2-phenyl-1-(1H-pyrrol-2-yl)pentan-1-one
CID 63750151
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
3-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 78775690
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
CID 115580068
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one?
The IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one (CID 113218827) is 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one is CCC(C)C(C(=O)c1nccn1C)c1ccccc1.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one?
The InChIKey is CVLPAXMUWMBWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-12(2)14(13-8-6-5-7-9-13)15(19)16-17-10-11-18(16)3/h5-12,14H,4H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one?
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one is sourced from PubChem (CID 113218827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).