1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one

C12H22N2OSi — CID 135075506

IUPAC1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one
SMILESCc1ncc(C(=O)C(C)C[Si](C)(C)C)n1C
InChIInChI=1S/C12H22N2OSi/c1-9(8-16(4,5)6)12(15)11-7-13-10(2)14(11)3/h7,9H,8H2,1-6H3
InChIKeyZSWYPPYQKSKFLX-UHFFFAOYSA-N
MW238.41 g/mol
LogP2.89
Rot. Bonds4

About 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one

1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one (PubChem CID 135075506) has the molecular formula C12H22N2OSi and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one
PubChem CID135075506
Molecular FormulaC12H22N2OSi
Molecular Weight238.41 g/mol
Exact Mass238.15
IUPAC Name1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one
SMILESCc1ncc(C(=O)C(C)C[Si](C)(C)C)n1C
InChIInChI=1S/C12H22N2OSi/c1-9(8-16(4,5)6)12(15)11-7-13-10(2)14(11)3/h7,9H,8H2,1-6H3
InChIKeyZSWYPPYQKSKFLX-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(1-methyl-1H-imidazol-5-yl)propan-1-one
CID 15128991
(E)-3-(dimethylamino)-2-methyl-1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]prop-2-en-1-one
CID 163563901
1-(1,2-Dimethyl-1H-imidazol-5-yl)ethan-1-one
CID 13483374
1-(1,2-Dimethyl-1H-imidazol-4-yl)ethanone
CID 13483382
1-(5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone
CID 45086310
1-(1,2-Dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one
CID 15882308
(E)-3-(dimethylamino)-1-(2,3-dimethylimidazol-4-yl)prop-2-en-1-one
CID 22273537
1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone
CID 138979189
1-(2-Tert-butyl-3-methylimidazol-4-yl)-2,2,2-trifluoroethanone
CID 10857363
(2z)-3-Dimethylamino-2-fluoro-1-[2-methyl-1-(1-methylpiperidin-4-yl)-1h-imidazol-5-yl]prop-2-en-1-one
CID 16665497
(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-methyl-2-(trifluoromethyl)-1H-imidazol-5-yl]prop-2-en-1-one
CID 57664658

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one?
The IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one (CID 135075506) is 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one.
What is the SMILES notation for 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one?
The canonical SMILES for 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one is Cc1ncc(C(=O)C(C)C[Si](C)(C)C)n1C.
What is the InChIKey of 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one?
The InChIKey is ZSWYPPYQKSKFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OSi/c1-9(8-16(4,5)6)12(15)11-7-13-10(2)14(11)3/h7,9H,8H2,1-6H3.
What are the key properties of 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one?
1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one has a molecular weight of 238.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylimidazol-4-yl)-2-methyl-3-trimethylsilylpropan-1-one is sourced from PubChem (CID 135075506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).