1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one

C15H18N2O — CID 63975640

IUPAC1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
SMILESCCn1ccnc1C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-4-17-11-10-16-14(17)13(18)15(2,3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChIKeyGQIZCAPJDKGXIS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.06
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one

1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one (PubChem CID 63975640) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
PubChem CID63975640
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
SMILESCCn1ccnc1C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-4-17-11-10-16-14(17)13(18)15(2,3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChIKeyGQIZCAPJDKGXIS-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-one
CID 116710204
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 79052166
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 116610931
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
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1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
CID 65141818
1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
CID 114972994
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79064858
benzyl 1-ethylimidazole-2-carboxylate tetrafluoroborate
CID 21251925
2,3-dimethyl-1,4-dihydronaphthalene;1-(1-ethylimidazol-2-yl)ethanone
CID 90827226

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one (CID 63975640) is 1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one is CCn1ccnc1C(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is GQIZCAPJDKGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-17-11-10-16-14(17)13(18)15(2,3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one?
1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.06, 4 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-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 63975640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).