3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione

C12H20N2S — CID 64863950

IUPAC3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C(C)CC1CC1
InChIInChI=1S/C12H20N2S/c1-8(2)11-7-13-12(15)14(11)9(3)6-10-4-5-10/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyULIOIXLIBJIJFQ-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.03
Rot. Bonds4

About 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione

3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64863950) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64863950
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C(C)CC1CC1
InChIInChI=1S/C12H20N2S/c1-8(2)11-7-13-12(15)14(11)9(3)6-10-4-5-10/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyULIOIXLIBJIJFQ-UHFFFAOYSA-N
XLogP4.03
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione 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

Foqodypmgycffc-uhfffaoysa-
CID 10889988
1-cyclohexyl-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519165
3-hexyl-4-propyl-1H-imidazole-2-thione
CID 23319745
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189
5-butyl-3-cyclopropyl-1H-imidazole-2-thione
CID 11095565
1-cyclopropyl-5-(propan-2-yl)-1H-imidazole-2-thiol
CID 54594765
1,5-bis(propan-2-yl)-1H-imidazole-2-thiol
CID 54594766
3-(1-cyclopropylpropan-2-yl)-1H-imidazole-2-thione
CID 64002119
3-(1-cyclopropylbutan-2-yl)-1H-imidazole-2-thione
CID 64002120
3-cyclooctyl-4-propan-2-yl-1H-imidazole-2-thione
CID 64862768
3-(2-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862774
3-(1-cyclopropylethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862780

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64863950) is 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1C(C)CC1CC1.
What is the InChIKey of 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is ULIOIXLIBJIJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8(2)11-7-13-12(15)14(11)9(3)6-10-4-5-10/h7-10H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 224.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64863950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).