5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole

C27H20Cl4FN5S — CID 160574831

IUPAC5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1c(Cl)nc(SCc2ccc(C3=NN=NC3)c(Cl)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C27H20Cl4FN5S/c1-27(2,16-4-10-20(28)22(30)12-16)24-25(31)34-26(37(24)18-7-5-17(32)6-8-18)38-14-15-3-9-19(21(29)11-15)23-13-33-36-35-23/h3-12H,13-14H2,1-2H3
InChIKeyRAZXKTMNIBBPAE-UHFFFAOYSA-N
MW607.37 g/mol
LogP9.41
Rot. Bonds7

About 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole

5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole (PubChem CID 160574831) has the molecular formula C27H20Cl4FN5S and a molecular weight of 607.37 g/mol. Its IUPAC name is 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole.

Molecular Properties

Compound Name5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole
PubChem CID160574831
Molecular FormulaC27H20Cl4FN5S
Molecular Weight607.37 g/mol
Exact Mass605.02
IUPAC Name5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1c(Cl)nc(SCc2ccc(C3=NN=NC3)c(Cl)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C27H20Cl4FN5S/c1-27(2,16-4-10-20(28)22(30)12-16)24-25(31)34-26(37(24)18-7-5-17(32)6-8-18)38-14-15-3-9-19(21(29)11-15)23-13-33-36-35-23/h3-12H,13-14H2,1-2H3
InChIKeyRAZXKTMNIBBPAE-UHFFFAOYSA-N
XLogP9.41
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.37
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole with MolForge

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Related Compounds

4-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 66740637
2-[(4-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 150578300
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-chloro-4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]benzamide
CID 66741170
5-[3-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]pyrrolidin-1-yl]-4H-triazole
CID 159680588
3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole
CID 4663466
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-[(3-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 46908742
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-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-difluorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 66741222
1-[4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]piperidin-1-yl]ethanone
CID 66740154
4-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluoro-N-hydroxybenzamide
CID 87131643

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole?
The IUPAC name of 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole (CID 160574831) is 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole.
What is the SMILES notation for 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole?
The canonical SMILES for 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole is CC(C)(c1ccc(Cl)c(Cl)c1)c1c(Cl)nc(SCc2ccc(C3=NN=NC3)c(Cl)c2)n1-c1ccc(F)cc1.
What is the InChIKey of 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole?
The InChIKey is RAZXKTMNIBBPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl4FN5S/c1-27(2,16-4-10-20(28)22(30)12-16)24-25(31)34-26(37(24)18-7-5-17(32)6-8-18)38-14-15-3-9-19(21(29)11-15)23-13-33-36-35-23/h3-12H,13-14H2,1-2H3.
What are the key properties of 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole?
5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole has a molecular weight of 607.37 g/mol, XLogP of 9.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-[[4-chloro-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]-4H-triazole is sourced from PubChem (CID 160574831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).