1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole

C21H15Cl2FN2S — CID 18878249

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
SMILESFc1cccc(Cl)c1Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H15Cl2FN2S/c22-14-8-10-15(11-9-14)27-13-21-25-19-6-1-2-7-20(19)26(21)12-16-17(23)4-3-5-18(16)24/h1-11H,12-13H2
InChIKeyWNGUSPQVJPWAQS-UHFFFAOYSA-N
MW417.34 g/mol
LogP6.82
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole

1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole (PubChem CID 18878249) has the molecular formula C21H15Cl2FN2S and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
PubChem CID18878249
Molecular FormulaC21H15Cl2FN2S
Molecular Weight417.34 g/mol
Exact Mass416.03
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
SMILESFc1cccc(Cl)c1Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H15Cl2FN2S/c22-14-8-10-15(11-9-14)27-13-21-25-19-6-1-2-7-20(19)26(21)12-16-17(23)4-3-5-18(16)24/h1-11H,12-13H2
InChIKeyWNGUSPQVJPWAQS-UHFFFAOYSA-N
XLogP6.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole 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-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 718215
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257
3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2947354
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
CID 16999772
2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
CID 18878418
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364
1-[(2-chloro-6-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885542
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262926
2-[(4-chlorophenyl)sulfanylmethyl]-1-nonylbenzimidazole
CID 18878229

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole (CID 18878249) is 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole is Fc1cccc(Cl)c1Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole?
The InChIKey is WNGUSPQVJPWAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2S/c22-14-8-10-15(11-9-14)27-13-21-25-19-6-1-2-7-20(19)26(21)12-16-17(23)4-3-5-18(16)24/h1-11H,12-13H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole?
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole has a molecular weight of 417.34 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole is sourced from PubChem (CID 18878249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).