1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one

C12H20N2O — CID 15882308

IUPAC1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one
SMILESCc1nc(C(=O)CCC(C)(C)C)cn1C
InChIInChI=1S/C12H20N2O/c1-9-13-10(8-14(9)5)11(15)6-7-12(2,3)4/h8H,6-7H2,1-5H3
InChIKeyWOOCDJFVZKDOJW-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.74
Rot. Bonds3

About 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one

1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one (PubChem CID 15882308) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one
PubChem CID15882308
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one
SMILESCc1nc(C(=O)CCC(C)(C)C)cn1C
InChIInChI=1S/C12H20N2O/c1-9-13-10(8-14(9)5)11(15)6-7-12(2,3)4/h8H,6-7H2,1-5H3
InChIKeyWOOCDJFVZKDOJW-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bulbimidazole C
CID 156011654
1-(1-methyl-1H-imidazol-5-yl)propan-1-one
CID 15128991
Strepimidazole D
CID 156580782
Strepimidazole A
CID 156580783
Strepimidazole C
CID 156580784
1-(1,2-Dimethyl-1H-imidazol-5-yl)ethan-1-one
CID 13483374
1-(1,2-Dimethyl-1H-imidazol-4-yl)ethanone
CID 13483382
(E)-3-(dimethylamino)-1-(2,3-dimethylimidazol-4-yl)prop-2-en-1-one
CID 22273537
(2z)-3-Dimethylamino-2-fluoro-1-(1-cyclohexyl-2-methyl-1h-imidazol-5-yl)prop-2-en-1-one
CID 16665651
(2Z)-3-(dimethylamino)-2-fluoro-1-(1-isopropyl-2-methyl-1H-imidazol-5-yl)prop-2-en-1-one
CID 58127046
5,5-Difluoro-4-methyl-1-(1-methylimidazol-4-yl)pent-4-en-1-one
CID 58962890
3-(Dimethylamino)-2-fluoro-1-(2-methyl-3-propan-2-ylimidazol-4-yl)prop-2-en-1-one
CID 66640195

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one (CID 15882308) is 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one is Cc1nc(C(=O)CCC(C)(C)C)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one?
The InChIKey is WOOCDJFVZKDOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-13-10(8-14(9)5)11(15)6-7-12(2,3)4/h8H,6-7H2,1-5H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one?
1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one is sourced from PubChem (CID 15882308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).