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

C21H16Cl2N2S — CID 18878253

IUPAC1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
SMILESClc1ccc(Cn2c(CSc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C21H16Cl2N2S/c22-16-7-5-15(6-8-16)13-25-20-4-2-1-3-19(20)24-21(25)14-26-18-11-9-17(23)10-12-18/h1-12H,13-14H2
InChIKeyLJVZVDIYNNDOHN-UHFFFAOYSA-N
MW399.35 g/mol
LogP6.68
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole (PubChem CID 18878253) has the molecular formula C21H16Cl2N2S and a molecular weight of 399.35 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
PubChem CID18878253
Molecular FormulaC21H16Cl2N2S
Molecular Weight399.35 g/mol
Exact Mass398.04
IUPAC Name1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
SMILESClc1ccc(Cn2c(CSc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C21H16Cl2N2S/c22-16-7-5-15(6-8-16)13-25-20-4-2-1-3-19(20)24-21(25)14-26-18-11-9-17(23)10-12-18/h1-12H,13-14H2
InChIKeyLJVZVDIYNNDOHN-UHFFFAOYSA-N
XLogP6.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878249
2-[(4-chlorophenyl)sulfanylmethyl]-1-nonylbenzimidazole
CID 18878229
2-[(4-chlorophenyl)sulfanylmethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18878293
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
2-[(4-chlorophenyl)sulfanylmethyl]-1-propan-2-ylbenzimidazole
CID 18878244
2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18878283
2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 18878269
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole (CID 18878253) is 1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole is Clc1ccc(Cn2c(CSc3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole?
The InChIKey is LJVZVDIYNNDOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2S/c22-16-7-5-15(6-8-16)13-25-20-4-2-1-3-19(20)24-21(25)14-26-18-11-9-17(23)10-12-18/h1-12H,13-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole?
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole has a molecular weight of 399.35 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole is sourced from PubChem (CID 18878253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).