4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione

C15H9Cl2F2N3S — CID 86725471

IUPAC4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione
SMILESFc1ccc(Nn2c(-c3ccc(Cl)cc3Cl)c[nH]c2=S)c(F)c1
InChIInChI=1S/C15H9Cl2F2N3S/c16-8-1-3-10(11(17)5-8)14-7-20-15(23)22(14)21-13-4-2-9(18)6-12(13)19/h1-7,21H,(H,20,23)
InChIKeyLLSPYCFVVRBAKM-UHFFFAOYSA-N
MW372.23 g/mol
LogP5.67
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione

4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione (PubChem CID 86725471) has the molecular formula C15H9Cl2F2N3S and a molecular weight of 372.23 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione
PubChem CID86725471
Molecular FormulaC15H9Cl2F2N3S
Molecular Weight372.23 g/mol
Exact Mass370.99
IUPAC Name4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione
SMILESFc1ccc(Nn2c(-c3ccc(Cl)cc3Cl)c[nH]c2=S)c(F)c1
InChIInChI=1S/C15H9Cl2F2N3S/c16-8-1-3-10(11(17)5-8)14-7-20-15(23)22(14)21-13-4-2-9(18)6-12(13)19/h1-7,21H,(H,20,23)
InChIKeyLLSPYCFVVRBAKM-UHFFFAOYSA-N
XLogP5.67
TPSA32.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.23
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione 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

1-(3-Chloroanilino)-5-(4-chlorophenyl)-4-methyl-imidazole-2-thiol
CID 3006074
1-[(2,4-Dichlorophenyl)methyl]-3-phenylthiourea
CID 887034
N-(4-chlorobenzyl)-N'-(2,4-difluorophenyl)hydrazine-1,2-dicarbothioamide
CID 2956259
3-(2-chloroanilino)-4-(4-fluorophenyl)-1H-imidazole-2-thione
CID 3654289
1-[(2,4-Dichlorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19649602
1-[(2,4-dichlorophenyl)amino]-5-(2,4-difluorophenyl)-1,3-dihydro-4-methyl-2H-imidazole-2-thione
CID 86725470
1-[(2-Chlorophenyl)methylamino]-1-(4-fluorophenyl)thiourea
CID 175346642
1-[(2-Chlorophenyl)methylamino]-3-(4-fluorophenyl)thiourea
CID 175346645
3-(4-chloroanilino)-4,5-bis(4-chlorophenyl)-1H-imidazole-2-thione
CID 134917438
1-Benzyl-3-[2-chloro-5-(trifluoromethyl)anilino]thiourea
CID 2454899
1-[(4-Chloro-2-fluorophenyl)methyl]-3-(2,5-difluorophenyl)thiourea
CID 3773378
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[(2,4-dichlorophenyl)methyl]thiourea
CID 3851473

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione (CID 86725471) is 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione is Fc1ccc(Nn2c(-c3ccc(Cl)cc3Cl)c[nH]c2=S)c(F)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione?
The InChIKey is LLSPYCFVVRBAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2N3S/c16-8-1-3-10(11(17)5-8)14-7-20-15(23)22(14)21-13-4-2-9(18)6-12(13)19/h1-7,21H,(H,20,23).
What are the key properties of 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione?
4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione has a molecular weight of 372.23 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-(2,4-difluoroanilino)-1H-imidazole-2-thione is sourced from PubChem (CID 86725471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).