1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole

C28H26N2O2 — CID 16999241

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCc1ccc(C)c(OCCn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1
InChIInChI=1S/C28H26N2O2/c1-20-11-12-21(2)27(17-20)31-16-15-30-26-10-6-5-9-25(26)29-28(30)19-32-24-14-13-22-7-3-4-8-23(22)18-24/h3-14,17-18H,15-16,19H2,1-2H3
InChIKeyWMUIFUFYCZWQQN-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.46
Rot. Bonds7

About 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole

1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole (PubChem CID 16999241) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
PubChem CID16999241
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCc1ccc(C)c(OCCn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1
InChIInChI=1S/C28H26N2O2/c1-20-11-12-21(2)27(17-20)31-16-15-30-26-10-6-5-9-25(26)29-28(30)19-32-24-14-13-22-7-3-4-8-23(22)18-24/h3-14,17-18H,15-16,19H2,1-2H3
InChIKeyWMUIFUFYCZWQQN-UHFFFAOYSA-N
XLogP6.46
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
CID 18878170
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879369
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007
1-[4-(2,5-dimethylphenoxy)butyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999405
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16998028
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16998023
2-[(2,5-dimethylphenoxy)methyl]-1-(3-methylbutyl)benzimidazole
CID 18878149

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole (CID 16999241) is 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole is Cc1ccc(C)c(OCCn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
The InChIKey is WMUIFUFYCZWQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-20-11-12-21(2)27(17-20)31-16-15-30-26-10-6-5-9-25(26)29-28(30)19-32-24-14-13-22-7-3-4-8-23(22)18-24/h3-14,17-18H,15-16,19H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole has a molecular weight of 422.53 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole is sourced from PubChem (CID 16999241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).