4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione

C12H20N2S — CID 15712812

IUPAC4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CCCC2CCCCC2)[nH]1
InChIInChI=1S/C12H20N2S/c15-12-13-9-11(14-12)8-4-7-10-5-2-1-3-6-10/h9-10H,1-8H2,(H2,13,14,15)
InChIKeyOMSXYKDJLIRNFX-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.98
Rot. Bonds4

About 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione

4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione (PubChem CID 15712812) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione
PubChem CID15712812
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CCCC2CCCCC2)[nH]1
InChIInChI=1S/C12H20N2S/c15-12-13-9-11(14-12)8-4-7-10-5-2-1-3-6-10/h9-10H,1-8H2,(H2,13,14,15)
InChIKeyOMSXYKDJLIRNFX-UHFFFAOYSA-N
XLogP3.98
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-Methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 11543017
2H-Imidazole-2-thione, 4-[(2-ethyl-2-cyclohexen-1-YL)methyl]-1,3-dihydro-
CID 11572105
4-(1,2,3,4,5,6,7,8-Octahydronaphthalen-2-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11608487
2H-Imidazole-2-thione, 4-[(3-ethyl-2-cyclopenten-1-YL)methyl]-1,3-dihydro-
CID 11637074
4-(Cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11644077
4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11687300
4-[[3-(Aminomethyl)cyclohex-3-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 15949978
4-(Cyclohex-3-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 16122798
4-Cyclohexyl-1,3-dihydroimidazole-2-thione
CID 20361654
4-(1-Methylcyclohexyl)-1,3-dihydroimidazole-2-thione
CID 20361663
4-Pentan-3-yl-1,3-dihydroimidazole-2-thione
CID 20361671
4-[(3,4-Dimethylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986051

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione (CID 15712812) is 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(CCCC2CCCCC2)[nH]1.
What is the InChIKey of 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is OMSXYKDJLIRNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c15-12-13-9-11(14-12)8-4-7-10-5-2-1-3-6-10/h9-10H,1-8H2,(H2,13,14,15).
What are the key properties of 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione?
4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 224.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpropyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 15712812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).