3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione

C15H26N2S — CID 64864147

IUPAC3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC1CCCC(CCn2c(C(C)C)c[nH]c2=S)C1
InChIInChI=1S/C15H26N2S/c1-11(2)14-10-16-15(18)17(14)8-7-13-6-4-5-12(3)9-13/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyLQUQHQNSCARPHE-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.89
Rot. Bonds4

About 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione

3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64864147) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64864147
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC1CCCC(CCn2c(C(C)C)c[nH]c2=S)C1
InChIInChI=1S/C15H26N2S/c1-11(2)14-10-16-15(18)17(14)8-7-13-6-4-5-12(3)9-13/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyLQUQHQNSCARPHE-UHFFFAOYSA-N
XLogP4.89
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(3-methylcyclohexyl)ethyl]-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

1-cyclohexyl-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519165
4-(3-Cyclohexylpropyl)-1,3-dihydroimidazole-2-thione
CID 15712812
4-Cyclohexyl-1,3-dihydroimidazole-2-thione
CID 20361654
4-(1-Methylcyclohexyl)-1,3-dihydroimidazole-2-thione
CID 20361663
4-[(4-Methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione
CID 70670394
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189
4-(Cyclohexylmethyl)-1,3-dihydroimidazole-2-thione
CID 129928907
6-Cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
CID 134368074
4-(3-Propylheptan-2-yl)-1,3-dihydroimidazole-2-thione
CID 143389054
4-(2-Propylhexyl)-1,3-dihydroimidazole-2-thione
CID 143389056
3-[2-(3-methylcyclohexyl)ethyl]-1H-imidazole-2-thione
CID 64226984
3-(2-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862774

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione (CID 64864147) is 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione is CC1CCCC(CCn2c(C(C)C)c[nH]c2=S)C1.
What is the InChIKey of 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is LQUQHQNSCARPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11(2)14-10-16-15(18)17(14)8-7-13-6-4-5-12(3)9-13/h10-13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione?
3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 266.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64864147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).