1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

C28H25ClN2O2 — CID 18811218

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3CCOc3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C28H25ClN2O2/c1-19(20-7-8-22-18-25(32-2)12-9-21(22)17-20)28-30-26-5-3-4-6-27(26)31(28)15-16-33-24-13-10-23(29)11-14-24/h3-14,17-19H,15-16H2,1-2H3
InChIKeyXIALJIJECDYOIW-UHFFFAOYSA-N
MW456.97 g/mol
LogP7.08
Rot. Bonds7

About 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (PubChem CID 18811218) has the molecular formula C28H25ClN2O2 and a molecular weight of 456.97 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
PubChem CID18811218
Molecular FormulaC28H25ClN2O2
Molecular Weight456.97 g/mol
Exact Mass456.16
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3CCOc3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C28H25ClN2O2/c1-19(20-7-8-22-18-25(32-2)12-9-21(22)17-20)28-30-26-5-3-4-6-27(26)31(28)15-16-33-24-13-10-23(29)11-14-24/h3-14,17-19H,15-16H2,1-2H3
InChIKeyXIALJIJECDYOIW-UHFFFAOYSA-N
XLogP7.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.97
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996355
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996402
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996324
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811183
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16996364
1-[3-(4-methoxyphenoxy)propyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996265
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 18811235
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 2772456
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16999796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (CID 18811218) is 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is COc1ccc2cc(C(C)c3nc4ccccc4n3CCOc3ccc(Cl)cc3)ccc2c1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The InChIKey is XIALJIJECDYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O2/c1-19(20-7-8-22-18-25(32-2)12-9-21(22)17-20)28-30-26-5-3-4-6-27(26)31(28)15-16-33-24-13-10-23(29)11-14-24/h3-14,17-19H,15-16H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole has a molecular weight of 456.97 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 18811218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).