cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C17H20Cl2N2OS — CID 4558615

IUPACcyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN=C1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2OS/c18-14-7-6-12(10-15(14)19)11-23-17-20-8-9-21(17)16(22)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2
InChIKeyQVLRLJGYXXVMAG-UHFFFAOYSA-N
MW371.33 g/mol
LogP5.01
Rot. Bonds3

About cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 4558615) has the molecular formula C17H20Cl2N2OS and a molecular weight of 371.33 g/mol. Its IUPAC name is cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID4558615
Molecular FormulaC17H20Cl2N2OS
Molecular Weight371.33 g/mol
Exact Mass370.07
IUPAC Namecyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN=C1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2OS/c18-14-7-6-12(10-15(14)19)11-23-17-20-8-9-21(17)16(22)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2
InChIKeyQVLRLJGYXXVMAG-UHFFFAOYSA-N
XLogP5.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4577118
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
CID 4109174
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
CID 3541160
2-(4-chlorophenoxy)-1-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 5173585
(2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4537201
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 4092743
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxyphenyl)methanone
CID 3390283
4-(cyclohexanecarbonyl)-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide
CID 3754161
2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4246907
(2-chlorophenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3644391
(2,5-dichlorophenyl)-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4641018
1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 4624439

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 4558615) is cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is O=C(C1CCCCC1)N1CCN=C1SCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is QVLRLJGYXXVMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2OS/c18-14-7-6-12(10-15(14)19)11-23-17-20-8-9-21(17)16(22)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2.
What are the key properties of cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 371.33 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 4558615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).