1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one

C11H18N2O — CID 155787967

IUPAC1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn(C)c(C(C)(C)C)n1
InChIInChI=1S/C11H18N2O/c1-8(14)6-9-7-13(5)10(12-9)11(2,3)4/h7H,6H2,1-5H3
InChIKeyLELJZGWZBAUYIC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.85
Rot. Bonds2

About 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one

1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one (PubChem CID 155787967) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one
PubChem CID155787967
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn(C)c(C(C)(C)C)n1
InChIInChI=1S/C11H18N2O/c1-8(14)6-9-7-13(5)10(12-9)11(2,3)4/h7H,6H2,1-5H3
InChIKeyLELJZGWZBAUYIC-UHFFFAOYSA-N
XLogP1.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-Dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one
CID 15882308
1,1-difluoro-3-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-one
CID 23343229
2,4-Bis[3-methyl-2-(trifluoromethyl)imidazol-4-yl]pentan-3-one
CID 141174269
(E)-3-(dimethylamino)-2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-one
CID 163563901
1,1,1-Trifluoro-3-(1-methyl-5-propan-2-ylimidazol-2-yl)propan-2-one
CID 171534070
2-(5-Cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone
CID 174330889
2,4-Bis[3-ethyl-2-(trifluoromethyl)imidazol-4-yl]pentan-3-one
CID 174532812
2,4-Bis[2-(difluoromethyl)-3-ethylimidazol-4-yl]pentan-3-one
CID 174546753
3-(2-Propan-2-yl-4-propylimidazol-1-yl)propanenitrile
CID 12250967
1-[1-(2,2,2-Trifluoroethyl)imidazol-4-yl]propan-2-one
CID 83882647
1-[3-(Trifluoromethyl)imidazol-4-yl]propan-2-one
CID 112712606
1-(2,3-Dimethylimidazol-4-yl)-2-fluoro-2-methylpropan-1-one
CID 130562363

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one?
The IUPAC name of 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one (CID 155787967) is 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one?
The canonical SMILES for 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one is CC(=O)Cc1cn(C)c(C(C)(C)C)n1.
What is the InChIKey of 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one?
The InChIKey is LELJZGWZBAUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(14)6-9-7-13(5)10(12-9)11(2,3)4/h7H,6H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one?
1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one is sourced from PubChem (CID 155787967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).