4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile

C12H3Cl3F5N3S — CID 151064962

IUPAC4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile
SMILESN#Cc1nc(Cl)c(SC(F)F)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H3Cl3F5N3S/c13-5-1-4(12(18,19)20)2-6(14)8(5)23-7(3-21)22-9(15)10(23)24-11(16)17/h1-2,11H
InChIKeyMGYBJQCNROPOMN-UHFFFAOYSA-N
MW422.59 g/mol
LogP6.04
Rot. Bonds3

About 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile

4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile (PubChem CID 151064962) has the molecular formula C12H3Cl3F5N3S and a molecular weight of 422.59 g/mol. Its IUPAC name is 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile
PubChem CID151064962
Molecular FormulaC12H3Cl3F5N3S
Molecular Weight422.59 g/mol
Exact Mass420.90
IUPAC Name4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile
SMILESN#Cc1nc(Cl)c(SC(F)F)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H3Cl3F5N3S/c13-5-1-4(12(18,19)20)2-6(14)8(5)23-7(3-21)22-9(15)10(23)24-11(16)17/h1-2,11H
InChIKeyMGYBJQCNROPOMN-UHFFFAOYSA-N
XLogP6.04
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole
CID 150528323
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethyl)-4-(fluoromethylsulfanyl)pyrazole-3-carbonitrile
CID 118070164
[3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-4-yl] thiocyanate
CID 150831946
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-5-(trifluoromethylsulfanyl)pyrazole-4-carbonitrile
CID 22618469
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 67446980
2-chloro-4-[dichloro(fluoro)methyl]sulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methylpyrrole-3-carbonitrile
CID 11827017
3,5-diamino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22618350
5-tert-butyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 145474063
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-N-ethylpyrazol-5-amine
CID 19862621
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile
CID 59377305
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10110800
2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119003399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile?
The IUPAC name of 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile (CID 151064962) is 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile.
What is the SMILES notation for 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile?
The canonical SMILES for 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile is N#Cc1nc(Cl)c(SC(F)F)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile?
The InChIKey is MGYBJQCNROPOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3Cl3F5N3S/c13-5-1-4(12(18,19)20)2-6(14)8(5)23-7(3-21)22-9(15)10(23)24-11(16)17/h1-2,11H.
What are the key properties of 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile?
4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile has a molecular weight of 422.59 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(difluoromethylsulfanyl)imidazole-2-carbonitrile is sourced from PubChem (CID 151064962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).