[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone

C17H21ClN2OS — CID 4109174

IUPAC[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C17H21ClN2OS/c18-15-9-5-4-8-14(15)12-22-17-19-10-11-20(17)16(21)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2
InChIKeyMELZIXXNJLYWJY-UHFFFAOYSA-N
MW336.89 g/mol
LogP4.35
Rot. Bonds3

About [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone

[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone (PubChem CID 4109174) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
PubChem CID4109174
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC Name[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C17H21ClN2OS/c18-15-9-5-4-8-14(15)12-22-17-19-10-11-20(17)16(21)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2
InChIKeyMELZIXXNJLYWJY-UHFFFAOYSA-N
XLogP4.35
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4558615
cyclopentyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4577118
(4-chlorophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5076105
2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4246907
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 4078363
1,3-benzodioxol-5-yl-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4685876
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
CID 3541160
cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 4642944
(5-chloro-2-nitrophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5020276
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
(2,5-dichlorophenyl)-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4641018
2-chloro-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4176375

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone?
The IUPAC name of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone (CID 4109174) is [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone?
The canonical SMILES for [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCN=C1SCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone?
The InChIKey is MELZIXXNJLYWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c18-15-9-5-4-8-14(15)12-22-17-19-10-11-20(17)16(21)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2.
What are the key properties of [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone?
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone has a molecular weight of 336.89 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 4109174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).