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

C14H24N2S — CID 64865316

IUPAC3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C(C)C1CCCCC1
InChIInChI=1S/C14H24N2S/c1-10(2)13-9-15-14(17)16(13)11(3)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyRHBRQFQHVZMFKA-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.81
Rot. Bonds3

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

3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64865316) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64865316
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1C(C)C1CCCCC1
InChIInChI=1S/C14H24N2S/c1-10(2)13-9-15-14(17)16(13)11(3)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyRHBRQFQHVZMFKA-UHFFFAOYSA-N
XLogP4.81
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.81
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
4-[(3,4-Dimethylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986051
4-[(3-Ethyl-4-methylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986182
3-cyclohexyl-4-hexyl-1H-imidazole-2-thione
CID 23319750
4-[(4-Methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione
CID 70670394
5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-1H-imidazole-2-thione
CID 70671070
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64865316) is 3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1C(C)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is RHBRQFQHVZMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(2)13-9-15-14(17)16(13)11(3)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 252.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethyl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64865316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).