2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole

C26H20Cl2N2O2 — CID 3107569

IUPAC2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C26H20Cl2N2O2/c27-20-10-12-25(22(28)16-20)32-17-26-29-23-7-3-4-8-24(23)30(26)13-14-31-21-11-9-18-5-1-2-6-19(18)15-21/h1-12,15-16H,13-14,17H2
InChIKeyAOMDTTOVZAJEJE-UHFFFAOYSA-N
MW463.36 g/mol
LogP7.15
Rot. Bonds7

About 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole

2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole (PubChem CID 3107569) has the molecular formula C26H20Cl2N2O2 and a molecular weight of 463.36 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
PubChem CID3107569
Molecular FormulaC26H20Cl2N2O2
Molecular Weight463.36 g/mol
Exact Mass462.09
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C26H20Cl2N2O2/c27-20-10-12-25(22(28)16-20)32-17-26-29-23-7-3-4-8-24(23)30(26)13-14-31-21-11-9-18-5-1-2-6-19(18)15-21/h1-12,15-16H,13-14,17H2
InChIKeyAOMDTTOVZAJEJE-UHFFFAOYSA-N
XLogP7.15
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997233
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226
2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
1-[3-(4-tert-butylphenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997229
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219
2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18878283
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole (CID 3107569) is 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole is Clc1ccc(OCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The InChIKey is AOMDTTOVZAJEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O2/c27-20-10-12-25(22(28)16-20)32-17-26-29-23-7-3-4-8-24(23)30(26)13-14-31-21-11-9-18-5-1-2-6-19(18)15-21/h1-12,15-16H,13-14,17H2.
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole has a molecular weight of 463.36 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 3107569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).