2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole

C25H26N2O2 — CID 16998345

IUPAC2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCCc1ccc(OCc2nc3ccccc3n2CCOc2ccccc2C)cc1
InChIInChI=1S/C25H26N2O2/c1-3-20-12-14-21(15-13-20)29-18-25-26-22-9-5-6-10-23(22)27(25)16-17-28-24-11-7-4-8-19(24)2/h4-15H,3,16-18H2,1-2H3
InChIKeyFXCVTMDJWPDNRQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.57
Rot. Bonds8

About 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole

2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole (PubChem CID 16998345) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
PubChem CID16998345
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCCc1ccc(OCc2nc3ccccc3n2CCOc2ccccc2C)cc1
InChIInChI=1S/C25H26N2O2/c1-3-20-12-14-21(15-13-20)29-18-25-26-22-9-5-6-10-23(22)27(25)16-17-28-24-11-7-4-8-19(24)2/h4-15H,3,16-18H2,1-2H3
InChIKeyFXCVTMDJWPDNRQ-UHFFFAOYSA-N
XLogP5.57
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996113
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-[(4-ethylphenoxy)methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 16998336
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999241

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole (CID 16998345) is 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole is CCc1ccc(OCc2nc3ccccc3n2CCOc2ccccc2C)cc1.
What is the InChIKey of 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The InChIKey is FXCVTMDJWPDNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-20-12-14-21(15-13-20)29-18-25-26-22-9-5-6-10-23(22)27(25)16-17-28-24-11-7-4-8-19(24)2/h4-15H,3,16-18H2,1-2H3.
What are the key properties of 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16998345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).