1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride

C12H19ClN4OS — CID 173374532

IUPAC1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride
SMILESCN1C=CN(C)C1CC(=O)CSc1nccn1C.Cl
InChIInChI=1S/C12H18N4OS.ClH/c1-14-6-7-15(2)11(14)8-10(17)9-18-12-13-4-5-16(12)3;/h4-7,11H,8-9H2,1-3H3;1H
InChIKeyARWHADMJGZPJKW-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.57
Rot. Bonds5

About 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride

1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride (PubChem CID 173374532) has the molecular formula C12H19ClN4OS and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride
PubChem CID173374532
Molecular FormulaC12H19ClN4OS
Molecular Weight302.83 g/mol
Exact Mass302.10
IUPAC Name1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride
SMILESCN1C=CN(C)C1CC(=O)CSc1nccn1C.Cl
InChIInChI=1S/C12H18N4OS.ClH/c1-14-6-7-15(2)11(14)8-10(17)9-18-12-13-4-5-16(12)3;/h4-7,11H,8-9H2,1-3H3;1H
InChIKeyARWHADMJGZPJKW-UHFFFAOYSA-N
XLogP1.57
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride 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-(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one chloride
CID 88518629
1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one
CID 43802153
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 115648629
1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one
CID 19831257
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 25406812
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945
2-(1-methylimidazol-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 4064035
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
4-(1-methylimidazol-2-yl)sulfanylbut-2-enoic acid
CID 76940660
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 75464250

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride?
The IUPAC name of 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride (CID 173374532) is 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride.
What is the SMILES notation for 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride?
The canonical SMILES for 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride is CN1C=CN(C)C1CC(=O)CSc1nccn1C.Cl.
What is the InChIKey of 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride?
The InChIKey is ARWHADMJGZPJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS.ClH/c1-14-6-7-15(2)11(14)8-10(17)9-18-12-13-4-5-16(12)3;/h4-7,11H,8-9H2,1-3H3;1H.
What are the key properties of 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride?
1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride has a molecular weight of 302.83 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one;hydrochloride is sourced from PubChem (CID 173374532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).