2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole

C25H20Cl3FN2S — CID 150578300

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCc2ccc(Cl)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H20Cl3FN2S/c1-25(2,17-5-12-21(27)22(28)13-17)23-14-30-24(31(23)20-10-8-19(29)9-11-20)32-15-16-3-6-18(26)7-4-16/h3-14H,15H2,1-2H3
InChIKeyINHDNIUNHCQQAD-UHFFFAOYSA-N
MW505.87 g/mol
LogP8.59
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole

2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (PubChem CID 150578300) has the molecular formula C25H20Cl3FN2S and a molecular weight of 505.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
PubChem CID150578300
Molecular FormulaC25H20Cl3FN2S
Molecular Weight505.87 g/mol
Exact Mass504.04
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCc2ccc(Cl)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C25H20Cl3FN2S/c1-25(2,17-5-12-21(27)22(28)13-17)23-14-30-24(31(23)20-10-8-19(29)9-11-20)32-15-16-3-6-18(26)7-4-16/h3-14H,15H2,1-2H3
InChIKeyINHDNIUNHCQQAD-UHFFFAOYSA-N
XLogP8.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.87
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]propan-2-ol
CID 66740792
2-[5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-2-fluorophenoxy]-2-methylpropanoic acid
CID 66740131
2-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide
CID 66741170
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 66741222
2-[(3-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 46908742
4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N-hydroxybenzamide
CID 87131643
5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-2-fluoro-N-[2-(3H-pyrrol-5-yl)ethyl]benzamide
CID 159185656
2-chloro-4-[2-[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazol-4-yl]propan-2-yl]benzonitrile
CID 66740000
1-[2-chloro-4-[2-[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazol-4-yl]propan-2-yl]phenoxy]-2-methylpropan-2-ol
CID 66740246
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 46908550
1-[4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidin-1-yl]ethanone
CID 66740154
5-[2-(3,4-dichlorophenyl)propan-2-yl]-1,2-bis(4-fluorophenyl)imidazole
CID 66739956

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (CID 150578300) is 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCc2ccc(Cl)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The InChIKey is INHDNIUNHCQQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3FN2S/c1-25(2,17-5-12-21(27)22(28)13-17)23-14-30-24(31(23)20-10-8-19(29)9-11-20)32-15-16-3-6-18(26)7-4-16/h3-14H,15H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole has a molecular weight of 505.87 g/mol, XLogP of 8.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is sourced from PubChem (CID 150578300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).