2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole

C21H15Cl3N2 — CID 18878418

IUPAC2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
SMILESClc1ccc(Cc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H15Cl3N2/c22-15-10-8-14(9-11-15)12-21-25-19-6-1-2-7-20(19)26(21)13-16-17(23)4-3-5-18(16)24/h1-11H,12-13H2
InChIKeyOMLREKGOMNUPLO-UHFFFAOYSA-N
MW401.72 g/mol
LogP6.64
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole

2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole (PubChem CID 18878418) has the molecular formula C21H15Cl3N2 and a molecular weight of 401.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
PubChem CID18878418
Molecular FormulaC21H15Cl3N2
Molecular Weight401.72 g/mol
Exact Mass400.03
IUPAC Name2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
SMILESClc1ccc(Cc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H15Cl3N2/c22-15-10-8-14(9-11-15)12-21-25-19-6-1-2-7-20(19)26(21)13-16-17(23)4-3-5-18(16)24/h1-11H,12-13H2
InChIKeyOMLREKGOMNUPLO-UHFFFAOYSA-N
XLogP6.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987371
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2992677
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878249
2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
CID 18878400
2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 18878404
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
4-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494342
2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole
CID 18878391
3-chloro-2-[(2-ethylbenzimidazol-1-yl)methyl]aniline
CID 63745945

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole (CID 18878418) is 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole is Clc1ccc(Cc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole?
The InChIKey is OMLREKGOMNUPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2/c22-15-10-8-14(9-11-15)12-21-25-19-6-1-2-7-20(19)26(21)13-16-17(23)4-3-5-18(16)24/h1-11H,12-13H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole?
2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole has a molecular weight of 401.72 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 18878418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).