1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole

C21H29ClN2S — CID 21415325

IUPAC1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole
SMILESClc1ccc(SC(CCCn2ccnc2)CCC2CCCCC2)cc1
InChIInChI=1S/C21H29ClN2S/c22-19-9-12-21(13-10-19)25-20(7-4-15-24-16-14-23-17-24)11-8-18-5-2-1-3-6-18/h9-10,12-14,16-18,20H,1-8,11,15H2
InChIKeyYUCNLDSZBOASTB-UHFFFAOYSA-N
MW377.00 g/mol
LogP6.84
Rot. Bonds9

About 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole

1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole (PubChem CID 21415325) has the molecular formula C21H29ClN2S and a molecular weight of 377.00 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole
PubChem CID21415325
Molecular FormulaC21H29ClN2S
Molecular Weight377.00 g/mol
Exact Mass376.17
IUPAC Name1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole
SMILESClc1ccc(SC(CCCn2ccnc2)CCC2CCCCC2)cc1
InChIInChI=1S/C21H29ClN2S/c22-19-9-12-21(13-10-19)25-20(7-4-15-24-16-14-23-17-24)11-8-18-5-2-1-3-6-18/h9-10,12-14,16-18,20H,1-8,11,15H2
InChIKeyYUCNLDSZBOASTB-UHFFFAOYSA-N
XLogP6.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.00
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)sulfanylheptyl]imidazole
CID 21415296
1-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
1-[3-(3,4-dichlorophenyl)sulfanylundecyl]imidazole
CID 21415167
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
1-[3-(2,4-dichlorophenyl)sulfanyloctyl]imidazole
CID 21415098
6-cyclohexyl-1-imidazol-1-ylhexan-2-ol
CID 21415122
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride
CID 19429364
sodium;4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylbenzoic acid;hydride
CID 173353595
1-[2-(2-tert-butylcyclohexyl)-2-[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21415254
1-(cyclooctylmethyl)imidazole
CID 20550238
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
CID 54282523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole (CID 21415325) is 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole is Clc1ccc(SC(CCCn2ccnc2)CCC2CCCCC2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole?
The InChIKey is YUCNLDSZBOASTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2S/c22-19-9-12-21(13-10-19)25-20(7-4-15-24-16-14-23-17-24)11-8-18-5-2-1-3-6-18/h9-10,12-14,16-18,20H,1-8,11,15H2.
What are the key properties of 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole?
1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole has a molecular weight of 377.00 g/mol, XLogP of 6.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfanyl-6-cyclohexylhexyl]imidazole is sourced from PubChem (CID 21415325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).