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

C25H26N2O3 — CID 16998482

IUPAC1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
SMILESCCc1ccc(OCCn2c(COc3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N2O3/c1-3-19-8-10-21(11-9-19)29-17-16-27-24-7-5-4-6-23(24)26-25(27)18-30-22-14-12-20(28-2)13-15-22/h4-15H,3,16-18H2,1-2H3
InChIKeyPWYGLVRDVLUUDR-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.27
Rot. Bonds9

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

1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole (PubChem CID 16998482) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
PubChem CID16998482
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
SMILESCCc1ccc(OCCn2c(COc3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N2O3/c1-3-19-8-10-21(11-9-19)29-17-16-27-24-7-5-4-6-23(24)26-25(27)18-30-22-14-12-20(28-2)13-15-22/h4-15H,3,16-18H2,1-2H3
InChIKeyPWYGLVRDVLUUDR-UHFFFAOYSA-N
XLogP5.27
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 16998345
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-[(2-chlorophenyl)methyl]-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 16995718
2-[(4-ethylphenoxy)methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 16998336
2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole
CID 70113912
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974172
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998217

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole (CID 16998482) is 1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole is CCc1ccc(OCCn2c(COc3ccc(OC)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole?
The InChIKey is PWYGLVRDVLUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-19-8-10-21(11-9-19)29-17-16-27-24-7-5-4-6-23(24)26-25(27)18-30-22-14-12-20(28-2)13-15-22/h4-15H,3,16-18H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole?
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole has a molecular weight of 402.49 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16998482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).