1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one

C15H18N2O — CID 114972994

IUPAC1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1nccn1CC)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-3-13(12-8-6-5-7-9-12)14(18)15-16-10-11-17(15)4-2/h5-11,13H,3-4H2,1-2H3
InChIKeyHLKIBDLHECOQEL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.28
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one

1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one (PubChem CID 114972994) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
PubChem CID114972994
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1nccn1CC)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-3-13(12-8-6-5-7-9-12)14(18)15-16-10-11-17(15)4-2/h5-11,13H,3-4H2,1-2H3
InChIKeyHLKIBDLHECOQEL-UHFFFAOYSA-N
XLogP3.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
CID 65141818
4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
CID 63975640
(2S,4R)-3-oxo-4-phenyl-2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]hexanenitrile
CID 95631571
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 103133838
2-phenyl-1-pyrazin-2-ylbutan-1-one
CID 114973044
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea
CID 110460025
2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide
CID 71789005

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one (CID 114972994) is 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one is CCC(C(=O)c1nccn1CC)c1ccccc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one?
The InChIKey is HLKIBDLHECOQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-13(12-8-6-5-7-9-12)14(18)15-16-10-11-17(15)4-2/h5-11,13H,3-4H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one?
1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one is sourced from PubChem (CID 114972994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).