2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole

C23H20Cl2N2O2 — CID 16998965

IUPAC2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C23H20Cl2N2O2/c1-16(29-18-12-10-17(24)11-13-18)23-26-20-7-3-4-8-21(20)27(23)14-15-28-22-9-5-2-6-19(22)25/h2-13,16H,14-15H2,1H3
InChIKeyWKVIPNOVDCCYET-UHFFFAOYSA-N
MW427.33 g/mol
LogP6.56
Rot. Bonds7

About 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole

2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole (PubChem CID 16998965) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
PubChem CID16998965
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC Name2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C23H20Cl2N2O2/c1-16(29-18-12-10-17(24)11-13-18)23-26-20-7-3-4-8-21(20)27(23)14-15-28-22-9-5-2-6-19(22)25/h2-13,16H,14-15H2,1H3
InChIKeyWKVIPNOVDCCYET-UHFFFAOYSA-N
XLogP6.56
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16999005
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
2-[1-(4-chlorophenoxy)ethyl]-1-[3-(2,3-dimethylphenoxy)propyl]benzimidazole
CID 16998981
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999140
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16998964
2-[1-(4-chlorophenoxy)ethyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16998999
1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996237
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999148
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969212

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole (CID 16998965) is 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole is CC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CCOc1ccccc1Cl.
What is the InChIKey of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole?
The InChIKey is WKVIPNOVDCCYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-16(29-18-12-10-17(24)11-13-18)23-26-20-7-3-4-8-21(20)27(23)14-15-28-22-9-5-2-6-19(22)25/h2-13,16H,14-15H2,1H3.
What are the key properties of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole?
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole has a molecular weight of 427.33 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16998965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).