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

C25H19ClF4N2S — CID 66741222

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(F)c(F)c1)c1cnc(SCc2ccc(F)cc2Cl)n1-c1ccc(F)cc1
InChIInChI=1S/C25H19ClF4N2S/c1-25(2,16-4-10-21(29)22(30)11-16)23-13-31-24(32(23)19-8-6-17(27)7-9-19)33-14-15-3-5-18(28)12-20(15)26/h3-13H,14H2,1-2H3
InChIKeyYOQCBMSETSFEJA-UHFFFAOYSA-N
MW490.95 g/mol
LogP7.70
Rot. Bonds6

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

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (PubChem CID 66741222) has the molecular formula C25H19ClF4N2S and a molecular weight of 490.95 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
PubChem CID66741222
Molecular FormulaC25H19ClF4N2S
Molecular Weight490.95 g/mol
Exact Mass490.09
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(F)c(F)c1)c1cnc(SCc2ccc(F)cc2Cl)n1-c1ccc(F)cc1
InChIInChI=1S/C25H19ClF4N2S/c1-25(2,16-4-10-21(29)22(30)11-16)23-13-31-24(32(23)19-8-6-17(27)7-9-19)33-14-15-3-5-18(28)12-20(15)26/h3-13H,14H2,1-2H3
InChIKeyYOQCBMSETSFEJA-UHFFFAOYSA-N
XLogP7.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 46908550
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-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 150578300
1-[3-chloro-4-[[5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]sulfonyl-4-methylpentan-2-one
CID 158666846
1-[4-[2-[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazol-4-yl]propan-2-yl]-2-methoxyphenyl]ethanol
CID 70865717
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-[(3-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 46908742
1-[3-chloro-4-[[5-[2-[3-(difluoromethyl)-4-fluorophenyl]propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]sulfonyl-3-pyrrolidin-1-ylurea
CID 66740124
1-[3-chloro-4-[[1-(3-chloro-4-fluorophenyl)-5-[2-(3,4-difluorophenyl)propan-2-yl]imidazol-2-yl]sulfanylmethyl]phenyl]sulfonyl-3-pyrrolidin-1-ylurea
CID 66740707
2-[5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-2-fluorophenoxy]-2-methylpropanoic acid
CID 66740131
1-[3-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]sulfonyl-3-pyrrolidin-1-ylurea
CID 66740365

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (CID 66741222) is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is CC(C)(c1ccc(F)c(F)c1)c1cnc(SCc2ccc(F)cc2Cl)n1-c1ccc(F)cc1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The InChIKey is YOQCBMSETSFEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF4N2S/c1-25(2,16-4-10-21(29)22(30)11-16)23-13-31-24(32(23)19-8-6-17(27)7-9-19)33-14-15-3-5-18(28)12-20(15)26/h3-13H,14H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole has a molecular weight of 490.95 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is sourced from PubChem (CID 66741222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).