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

C20H14Cl2N2O — CID 3465911

IUPAC2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole
SMILESClc1ccc(COn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C20H14Cl2N2O/c21-16-9-5-14(6-10-16)13-25-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13H2
InChIKeyBMKCCEUMCZXRNL-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.64
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole (PubChem CID 3465911) has the molecular formula C20H14Cl2N2O and a molecular weight of 369.25 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole
PubChem CID3465911
Molecular FormulaC20H14Cl2N2O
Molecular Weight369.25 g/mol
Exact Mass368.05
IUPAC Name2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole
SMILESClc1ccc(COn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C20H14Cl2N2O/c21-16-9-5-14(6-10-16)13-25-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13H2
InChIKeyBMKCCEUMCZXRNL-UHFFFAOYSA-N
XLogP5.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.64
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-[(4-chlorophenyl)methoxy]benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole (CID 3465911) is 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole is Clc1ccc(COn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole?
The InChIKey is BMKCCEUMCZXRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O/c21-16-9-5-14(6-10-16)13-25-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13H2.
What are the key properties of 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole?
2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole has a molecular weight of 369.25 g/mol, XLogP of 5.64, 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-[(4-chlorophenyl)methoxy]benzimidazole is sourced from PubChem (CID 3465911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).