4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole

C12H7Cl3F4N2S — CID 150528323

IUPAC4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole
SMILESCc1nc(Cl)c(SCF)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H7Cl3F4N2S/c1-5-20-10(15)11(22-4-16)21(5)9-7(13)2-6(3-8(9)14)12(17,18)19/h2-3H,4H2,1H3
InChIKeyIDHOPOXDKXZVEL-UHFFFAOYSA-N
MW393.62 g/mol
LogP6.18
Rot. Bonds3

About 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole

4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole (PubChem CID 150528323) has the molecular formula C12H7Cl3F4N2S and a molecular weight of 393.62 g/mol. Its IUPAC name is 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole.

Molecular Properties

Compound Name4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole
PubChem CID150528323
Molecular FormulaC12H7Cl3F4N2S
Molecular Weight393.62 g/mol
Exact Mass391.93
IUPAC Name4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole
SMILESCc1nc(Cl)c(SCF)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H7Cl3F4N2S/c1-5-20-10(15)11(22-4-16)21(5)9-7(13)2-6(3-8(9)14)12(17,18)19/h2-3H,4H2,1H3
InChIKeyIDHOPOXDKXZVEL-UHFFFAOYSA-N
XLogP6.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile
CID 151064962
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol
CID 170871674
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethyl)-4-(fluoromethylsulfanyl)pyrazole-3-carbonitrile
CID 118070164
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-one
CID 19821793
3-[dichloro(fluoro)methyl]sulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrole
CID 22418328
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
CID 19988896
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine
CID 15277999
4-[dichloro(fluoro)methyl]sulfinyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylimidazole
CID 19754591
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N,N-diethyl-5-(trifluoromethylsulfanyl)-1,2,4-triazol-3-amine
CID 18914401
2-chloro-4-[dichloro(fluoro)methyl]sulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methylpyrrole-3-carbonitrile
CID 11827017
[2,6-dichloro-4-(trifluoromethyl)phenyl]-trimethylsilane
CID 11514753
4-tert-butylsulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 14054706

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole?
The IUPAC name of 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole (CID 150528323) is 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole.
What is the SMILES notation for 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole?
The canonical SMILES for 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole is Cc1nc(Cl)c(SCF)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole?
The InChIKey is IDHOPOXDKXZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3F4N2S/c1-5-20-10(15)11(22-4-16)21(5)9-7(13)2-6(3-8(9)14)12(17,18)19/h2-3H,4H2,1H3.
What are the key properties of 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole?
4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole has a molecular weight of 393.62 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole is sourced from PubChem (CID 150528323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).