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

C18H16Cl2N2OS — CID 4246907

IUPAC2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C18H16Cl2N2OS/c19-15-7-5-13(6-8-15)11-17(23)22-10-9-21-18(22)24-12-14-3-1-2-4-16(14)20/h1-8H,9-12H2
InChIKeyMSUQOGHHQVIMQW-UHFFFAOYSA-N
MW379.31 g/mol
LogP4.67
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 4246907) has the molecular formula C18H16Cl2N2OS and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID4246907
Molecular FormulaC18H16Cl2N2OS
Molecular Weight379.31 g/mol
Exact Mass378.04
IUPAC Name2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1Cl
InChIInChI=1S/C18H16Cl2N2OS/c19-15-7-5-13(6-8-15)11-17(23)22-10-9-21-18(22)24-12-14-3-1-2-4-16(14)20/h1-8H,9-12H2
InChIKeyMSUQOGHHQVIMQW-UHFFFAOYSA-N
XLogP4.67
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5076105
1-[2-[(4-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-1-ylethanone
CID 3415570
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 3669097
[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
CID 4109174
2-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4256420
2-chloro-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4176375
(5-chloro-2-nitrophenyl)-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5020276
[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
1-[2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(3-methylphenyl)ethanone
CID 3412003
1-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-phenylphenyl)ethanone
CID 4095625
2-(4-chlorophenoxy)-1-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 5173585

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone (CID 4246907) is 2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1Cl.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is MSUQOGHHQVIMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2OS/c19-15-7-5-13(6-8-15)11-17(23)22-10-9-21-18(22)24-12-14-3-1-2-4-16(14)20/h1-8H,9-12H2.
What are the key properties of 2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone?
2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 379.31 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 2-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 4246907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).