1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole

C18H16Cl2N2S — CID 171986373

IUPAC1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole
SMILESClc1ccc(CC(CSc2ccc(Cl)cc2)n2ccnc2)cc1
InChIInChI=1S/C18H16Cl2N2S/c19-15-3-1-14(2-4-15)11-17(22-10-9-21-13-22)12-23-18-7-5-16(20)6-8-18/h1-10,13,17H,11-12H2
InChIKeyPYIHJIBCPDZOOZ-UHFFFAOYSA-N
MW363.31 g/mol
LogP5.77
Rot. Bonds6

About 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole

1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole (PubChem CID 171986373) has the molecular formula C18H16Cl2N2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole
PubChem CID171986373
Molecular FormulaC18H16Cl2N2S
Molecular Weight363.31 g/mol
Exact Mass362.04
IUPAC Name1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole
SMILESClc1ccc(CC(CSc2ccc(Cl)cc2)n2ccnc2)cc1
InChIInChI=1S/C18H16Cl2N2S/c19-15-3-1-14(2-4-15)11-17(22-10-9-21-13-22)12-23-18-7-5-16(20)6-8-18/h1-10,13,17H,11-12H2
InChIKeyPYIHJIBCPDZOOZ-UHFFFAOYSA-N
XLogP5.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.31
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]imidazole
CID 71324262
1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole
CID 70611026
4-(4-chlorophenyl)-3-imidazol-1-ylbutan-2-one;hydrochloride
CID 67157646
1-[1-(4-methylphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
CID 510049
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole
CID 21402330
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
CID 54282523
4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide
CID 53348140
S-[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)ethanethioate
CID 88823868
1-[1-[(4-chlorophenyl)methylsulfanyl]-3,5,5-trimethylhexan-2-yl]imidazole
CID 171987031
1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
CID 57395780
5-(4-chlorophenyl)-4-imidazol-1-yl-2,2-dimethyl-3-oxopentanenitrile
CID 13390740

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole (CID 171986373) is 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole is Clc1ccc(CC(CSc2ccc(Cl)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole?
The InChIKey is PYIHJIBCPDZOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2S/c19-15-3-1-14(2-4-15)11-17(22-10-9-21-13-22)12-23-18-7-5-16(20)6-8-18/h1-10,13,17H,11-12H2.
What are the key properties of 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole?
1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole has a molecular weight of 363.31 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole is sourced from PubChem (CID 171986373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).