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

C21H15Cl3N2O — CID 3789114

IUPAC2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H15Cl3N2O/c22-15-7-9-17(10-8-15)27-13-21-25-19-3-1-2-4-20(19)26(21)12-14-5-6-16(23)11-18(14)24/h1-11H,12-13H2
InChIKeyZBPVUBXMGQQBBA-UHFFFAOYSA-N
MW417.72 g/mol
LogP6.62
Rot. Bonds5

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

2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole (PubChem CID 3789114) has the molecular formula C21H15Cl3N2O and a molecular weight of 417.72 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
PubChem CID3789114
Molecular FormulaC21H15Cl3N2O
Molecular Weight417.72 g/mol
Exact Mass416.02
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H15Cl3N2O/c22-15-7-9-17(10-8-15)27-13-21-25-19-3-1-2-4-20(19)26(21)12-14-5-6-16(23)11-18(14)24/h1-11H,12-13H2
InChIKeyZBPVUBXMGQQBBA-UHFFFAOYSA-N
XLogP6.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.72
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]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

1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 16997069
1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 3347731
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494343
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide
CID 4886388
2-[(4-tert-butylphenoxy)methyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 16998729
N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985537
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole (CID 3789114) is 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole is Clc1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole?
The InChIKey is ZBPVUBXMGQQBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2O/c22-15-7-9-17(10-8-15)27-13-21-25-19-3-1-2-4-20(19)26(21)12-14-5-6-16(23)11-18(14)24/h1-11H,12-13H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole?
2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole has a molecular weight of 417.72 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 3789114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).