1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one

C10H16N2OS — CID 79743827

IUPAC1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
SMILESCC(C)SCC(=O)Cc1nccn1C
InChIInChI=1S/C10H16N2OS/c1-8(2)14-7-9(13)6-10-11-4-5-12(10)3/h4-5,8H,6-7H2,1-3H3
InChIKeyVQLOTAXUYKNRPL-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.67
Rot. Bonds5

About 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one

1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one (PubChem CID 79743827) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
PubChem CID79743827
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
SMILESCC(C)SCC(=O)Cc1nccn1C
InChIInChI=1S/C10H16N2OS/c1-8(2)14-7-9(13)6-10-11-4-5-12(10)3/h4-5,8H,6-7H2,1-3H3
InChIKeyVQLOTAXUYKNRPL-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-one
CID 79743927
1-(1-methylimidazol-2-yl)heptan-2-one
CID 115580314
1-(1-methylimidazol-2-yl)-2-propan-2-ylsulfanylethanone
CID 65134336
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one
CID 116581679
3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
CID 116549035
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
1-(1-methylimidazol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105116272
4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
CID 103023359
(NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine
CID 171986172
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085
4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
CID 102927313

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one (CID 79743827) is 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one is CC(C)SCC(=O)Cc1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one?
The InChIKey is VQLOTAXUYKNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(2)14-7-9(13)6-10-11-4-5-12(10)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one?
1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one is sourced from PubChem (CID 79743827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).