1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole

C17H13Cl2FN2S — CID 11949839

IUPAC1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole
SMILESFc1cccc(SCc2nccn2Cc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H13Cl2FN2S/c18-13-6-12(7-14(19)8-13)10-22-5-4-21-17(22)11-23-16-3-1-2-15(20)9-16/h1-9H,10-11H2
InChIKeyWEFHXCHGFNJDNZ-UHFFFAOYSA-N
MW367.28 g/mol
LogP5.67
Rot. Bonds5

About 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole

1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole (PubChem CID 11949839) has the molecular formula C17H13Cl2FN2S and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole
PubChem CID11949839
Molecular FormulaC17H13Cl2FN2S
Molecular Weight367.28 g/mol
Exact Mass366.02
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole
SMILESFc1cccc(SCc2nccn2Cc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H13Cl2FN2S/c18-13-6-12(7-14(19)8-13)10-22-5-4-21-17(22)11-23-16-3-1-2-15(20)9-16/h1-9H,10-11H2
InChIKeyWEFHXCHGFNJDNZ-UHFFFAOYSA-N
XLogP5.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole (CID 11949839) is 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole is Fc1cccc(SCc2nccn2Cc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole?
The InChIKey is WEFHXCHGFNJDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2S/c18-13-6-12(7-14(19)8-13)10-22-5-4-21-17(22)11-23-16-3-1-2-15(20)9-16/h1-9H,10-11H2.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole?
1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole has a molecular weight of 367.28 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]-2-[(3-fluorophenyl)sulfanylmethyl]imidazole is sourced from PubChem (CID 11949839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).