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

C13H22N2S — CID 64863166

IUPAC3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC1CCC(n2c(C(C)C)c[nH]c2=S)CC1
InChIInChI=1S/C13H22N2S/c1-9(2)12-8-14-13(16)15(12)11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyIUGZRJHSGXCMJH-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.42
Rot. Bonds2

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

3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64863166) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64863166
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC1CCC(n2c(C(C)C)c[nH]c2=S)CC1
InChIInChI=1S/C13H22N2S/c1-9(2)12-8-14-13(16)15(12)11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyIUGZRJHSGXCMJH-UHFFFAOYSA-N
XLogP4.42
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Foqodypmgycffc-uhfffaoysa-
CID 10889988
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
3-cyclohexyl-4-hexyl-1H-imidazole-2-thione
CID 23319750
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
4-(2-Propylhexyl)-1,3-dihydroimidazole-2-thione
CID 143389056
4-Cyclohexyl-1,3-dimethylimidazole-2-thione
CID 145841748
3-(4-methylcyclohexyl)-1H-imidazole-2-thione
CID 29062833
3-(4-ethylcyclohexyl)-1H-imidazole-2-thione
CID 61470364

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64863166) is 3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione is CC1CCC(n2c(C(C)C)c[nH]c2=S)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is IUGZRJHSGXCMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)12-8-14-13(16)15(12)11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 238.40 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64863166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).