1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole

C21H22Cl2N2S — CID 22762943

IUPAC1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole
SMILESCC(CCc1ccc(Cl)cc1)(CCn1ccnc1)Sc1ccccc1Cl
InChIInChI=1S/C21H22Cl2N2S/c1-21(12-14-25-15-13-24-16-25,26-20-5-3-2-4-19(20)23)11-10-17-6-8-18(22)9-7-17/h2-9,13,15-16H,10-12,14H2,1H3
InChIKeyVSNOCFLTCVFTER-UHFFFAOYSA-N
MW405.39 g/mol
LogP6.76
Rot. Bonds8

About 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole

1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole (PubChem CID 22762943) has the molecular formula C21H22Cl2N2S and a molecular weight of 405.39 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole
PubChem CID22762943
Molecular FormulaC21H22Cl2N2S
Molecular Weight405.39 g/mol
Exact Mass404.09
IUPAC Name1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole
SMILESCC(CCc1ccc(Cl)cc1)(CCn1ccnc1)Sc1ccccc1Cl
InChIInChI=1S/C21H22Cl2N2S/c1-21(12-14-25-15-13-24-16-25,26-20-5-3-2-4-19(20)23)11-10-17-6-8-18(22)9-7-17/h2-9,13,15-16H,10-12,14H2,1H3
InChIKeyVSNOCFLTCVFTER-UHFFFAOYSA-N
XLogP6.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.39
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-[2-(4-bromophenyl)sulfanyl-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22762995
1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22763065
1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22763018
1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762834
3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol
CID 10613637
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
CID 20512684
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole?
The IUPAC name of 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole (CID 22762943) is 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole?
The canonical SMILES for 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole is CC(CCc1ccc(Cl)cc1)(CCn1ccnc1)Sc1ccccc1Cl.
What is the InChIKey of 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole?
The InChIKey is VSNOCFLTCVFTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2S/c1-21(12-14-25-15-13-24-16-25,26-20-5-3-2-4-19(20)23)11-10-17-6-8-18(22)9-7-17/h2-9,13,15-16H,10-12,14H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole?
1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole has a molecular weight of 405.39 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole is sourced from PubChem (CID 22762943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).