1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole

C15H24N2S — CID 47111020

IUPAC1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole
SMILESC=C(C)CSc1nc(C)c(C)n1C1CCCCC1
InChIInChI=1S/C15H24N2S/c1-11(2)10-18-15-16-12(3)13(4)17(15)14-8-6-5-7-9-14/h14H,1,5-10H2,2-4H3
InChIKeyQYVVCQXZIXLWRE-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.67
Rot. Bonds4

About 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole

1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole (PubChem CID 47111020) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole.

Molecular Properties

Compound Name1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole
PubChem CID47111020
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole
SMILESC=C(C)CSc1nc(C)c(C)n1C1CCCCC1
InChIInChI=1S/C15H24N2S/c1-11(2)10-18-15-16-12(3)13(4)17(15)14-8-6-5-7-9-14/h14H,1,5-10H2,2-4H3
InChIKeyQYVVCQXZIXLWRE-UHFFFAOYSA-N
XLogP4.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 31123532
N-(2-cyano-3-methylbutan-2-yl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 46815341
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51190971
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17412864
N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide
CID 55375083
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 60545973
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 40657001
1-(1,3-benzodioxol-5-yl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylethanone
CID 17444026
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9291207
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanone
CID 24661572
methyl 4-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]benzoate
CID 7492126
4-[[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7492618

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole?
The IUPAC name of 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole (CID 47111020) is 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole.
What is the SMILES notation for 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole?
The canonical SMILES for 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole is C=C(C)CSc1nc(C)c(C)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole?
The InChIKey is QYVVCQXZIXLWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11(2)10-18-15-16-12(3)13(4)17(15)14-8-6-5-7-9-14/h14H,1,5-10H2,2-4H3.
What are the key properties of 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole?
1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole has a molecular weight of 264.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole is sourced from PubChem (CID 47111020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).