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

C20H13Cl3N2O — CID 3809277

IUPAC2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H13Cl3N2O/c21-15-8-5-13(6-9-15)20-24-18-3-1-2-4-19(18)25(20)26-12-14-7-10-16(22)11-17(14)23/h1-11H,12H2
InChIKeyZXHGDABTUSABLI-UHFFFAOYSA-N
MW403.70 g/mol
LogP6.29
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole (PubChem CID 3809277) has the molecular formula C20H13Cl3N2O and a molecular weight of 403.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole
PubChem CID3809277
Molecular FormulaC20H13Cl3N2O
Molecular Weight403.70 g/mol
Exact Mass402.01
IUPAC Name2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H13Cl3N2O/c21-15-8-5-13(6-9-15)20-24-18-3-1-2-4-19(18)25(20)26-12-14-7-10-16(22)11-17(14)23/h1-11H,12H2
InChIKeyZXHGDABTUSABLI-UHFFFAOYSA-N
XLogP6.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.70
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole (CID 3809277) is 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole is Clc1ccc(-c2nc3ccccc3n2OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole?
The InChIKey is ZXHGDABTUSABLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N2O/c21-15-8-5-13(6-9-15)20-24-18-3-1-2-4-19(18)25(20)26-12-14-7-10-16(22)11-17(14)23/h1-11H,12H2.
What are the key properties of 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole?
2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole has a molecular weight of 403.70 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole is sourced from PubChem (CID 3809277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).