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

C26H21ClN2O2 — CID 18879299

IUPAC2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H21ClN2O2/c27-21-10-13-22(14-11-21)31-18-26-28-24-7-3-4-8-25(24)29(26)15-16-30-23-12-9-19-5-1-2-6-20(19)17-23/h1-14,17H,15-16,18H2
InChIKeyPTNYKHZDWRLCMA-UHFFFAOYSA-N
MW428.92 g/mol
LogP6.50
Rot. Bonds7

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

2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole (PubChem CID 18879299) has the molecular formula C26H21ClN2O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
PubChem CID18879299
Molecular FormulaC26H21ClN2O2
Molecular Weight428.92 g/mol
Exact Mass428.13
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H21ClN2O2/c27-21-10-13-22(14-11-21)31-18-26-28-24-7-3-4-8-25(24)29(26)15-16-30-23-12-9-19-5-1-2-6-20(19)17-23/h1-14,17H,15-16,18H2
InChIKeyPTNYKHZDWRLCMA-UHFFFAOYSA-N
XLogP6.50
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 3107569
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18878283
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879409
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999241

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole (CID 18879299) is 2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole is Clc1ccc(OCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The InChIKey is PTNYKHZDWRLCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O2/c27-21-10-13-22(14-11-21)31-18-26-28-24-7-3-4-8-25(24)29(26)15-16-30-23-12-9-19-5-1-2-6-20(19)17-23/h1-14,17H,15-16,18H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole has a molecular weight of 428.92 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 18879299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).