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

C15H26N2S — CID 64865512

IUPAC3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCCC(C1CCCCC1)n1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C15H26N2S/c1-4-13(12-8-6-5-7-9-12)17-14(11(2)3)10-16-15(17)18/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyDKKVZHJFWMIJKF-UHFFFAOYSA-N
MW266.45 g/mol
LogP5.20
Rot. Bonds4

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

3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64865512) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64865512
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCCC(C1CCCCC1)n1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C15H26N2S/c1-4-13(12-8-6-5-7-9-12)17-14(11(2)3)10-16-15(17)18/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyDKKVZHJFWMIJKF-UHFFFAOYSA-N
XLogP5.20
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.45
LogP ≤ 55.20
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-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione (CID 64865512) is 3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione is CCC(C1CCCCC1)n1c(C(C)C)c[nH]c1=S.
What is the InChIKey of 3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is DKKVZHJFWMIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-13(12-8-6-5-7-9-12)17-14(11(2)3)10-16-15(17)18/h10-13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 266.45 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpropyl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64865512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).