1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone

C18H21ClN2O2S — CID 68641753

IUPAC1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone
SMILESCc1cnc(S(=O)CC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[nH]1
InChIInChI=1S/C18H21ClN2O2S/c1-13-11-20-17(21-13)24(23)12-16(22)18(9-3-2-4-10-18)14-5-7-15(19)8-6-14/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,21)
InChIKeyBWGRYMOLXFZNSD-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.95
Rot. Bonds5

About 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone

1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone (PubChem CID 68641753) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone
PubChem CID68641753
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone
SMILESCc1cnc(S(=O)CC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[nH]1
InChIInChI=1S/C18H21ClN2O2S/c1-13-11-20-17(21-13)24(23)12-16(22)18(9-3-2-4-10-18)14-5-7-15(19)8-6-14/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,21)
InChIKeyBWGRYMOLXFZNSD-UHFFFAOYSA-N
XLogP3.95
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone with MolForge

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Related Compounds

bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone
CID 144796652
N-(5-methyl-1H-imidazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 138045929
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771355
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one
CID 70445054
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 4239981
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone (CID 68641753) is 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone is Cc1cnc(S(=O)CC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[nH]1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone?
The InChIKey is BWGRYMOLXFZNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-13-11-20-17(21-13)24(23)12-16(22)18(9-3-2-4-10-18)14-5-7-15(19)8-6-14/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,21).
What are the key properties of 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone?
1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone has a molecular weight of 364.90 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclohexyl]-2-[(5-methyl-1H-imidazol-2-yl)sulfinyl]ethanone is sourced from PubChem (CID 68641753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).