2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine

C12H6Cl3N5S — CID 62865790

IUPAC2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1ccc(Cl)c(Sc2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C12H6Cl3N5S/c13-7-1-2-8(14)9(5-7)21-12-18-10(15)17-11(19-12)20-4-3-16-6-20/h1-6H
InChIKeyNWDOSYTWGWKBFF-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.17
Rot. Bonds3

About 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine

2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62865790) has the molecular formula C12H6Cl3N5S and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62865790
Molecular FormulaC12H6Cl3N5S
Molecular Weight358.64 g/mol
Exact Mass356.94
IUPAC Name2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1ccc(Cl)c(Sc2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C12H6Cl3N5S/c13-7-1-2-8(14)9(5-7)21-12-18-10(15)17-11(19-12)20-4-3-16-6-20/h1-6H
InChIKeyNWDOSYTWGWKBFF-UHFFFAOYSA-N
XLogP4.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine 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

2-Chloro-4-(2,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 62865960
2-Chloro-4-(2,5-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 62866159
2-Chloro-4-(2-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 62866328
2-Chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 62866497
2-Chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 62868065
2-Chloro-4-(3-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 80065473
2-[(2,5-Dichlorophenyl)sulfanylmethyl]-1-(difluoromethyl)imidazole
CID 133766911
1-[2-(2,5-Dichlorophenyl)sulfonylethyl]imidazole
CID 16365224
2-(2-Chlorophenyl)sulfanyl-1-methylimidazole
CID 15077484
1-Butyl-2-(4-chlorophenyl)sulfanylimidazole
CID 15077490
2-[(2,6-Dichlorophenyl)thio]-1-methyl-1H-imidazole
CID 15077493
2-(2,4-Dichlorophenyl)sulfanyl-1-methylimidazole
CID 15077496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine (CID 62865790) is 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine is Clc1ccc(Cl)c(Sc2nc(Cl)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is NWDOSYTWGWKBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N5S/c13-7-1-2-8(14)9(5-7)21-12-18-10(15)17-11(19-12)20-4-3-16-6-20/h1-6H.
What are the key properties of 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 358.64 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dichlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62865790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).