1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one

C12H20N2O — CID 115783502

IUPAC1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
SMILESCCn1ccnc1CC(=O)C(C)C(C)C
InChIInChI=1S/C12H20N2O/c1-5-14-7-6-13-12(14)8-11(15)10(4)9(2)3/h6-7,9-10H,5,8H2,1-4H3
InChIKeyFILPUVMESLUVPS-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.31
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one

1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one (PubChem CID 115783502) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
PubChem CID115783502
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
SMILESCCn1ccnc1CC(=O)C(C)C(C)C
InChIInChI=1S/C12H20N2O/c1-5-14-7-6-13-12(14)8-11(15)10(4)9(2)3/h6-7,9-10H,5,8H2,1-4H3
InChIKeyFILPUVMESLUVPS-UHFFFAOYSA-N
XLogP2.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one
CID 116564884
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-one
CID 116710314
5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
CID 79760691
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one (CID 115783502) is 1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one is CCn1ccnc1CC(=O)C(C)C(C)C.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one?
The InChIKey is FILPUVMESLUVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-14-7-6-13-12(14)8-11(15)10(4)9(2)3/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one?
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.31, 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)-3,4-dimethylpentan-2-one is sourced from PubChem (CID 115783502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).