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

C16H16N2O2 — CID 773982

IUPAC1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(OCCn2cnc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-19-13-6-8-14(9-7-13)20-11-10-18-12-17-15-4-2-3-5-16(15)18/h2-9,12H,10-11H2,1H3
InChIKeyBFZAUEJXOVJJDQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.12
Rot. Bonds5

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

1-[2-(4-methoxyphenoxy)ethyl]benzimidazole (PubChem CID 773982) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
PubChem CID773982
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(OCCn2cnc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-19-13-6-8-14(9-7-13)20-11-10-18-12-17-15-4-2-3-5-16(15)18/h2-9,12H,10-11H2,1H3
InChIKeyBFZAUEJXOVJJDQ-UHFFFAOYSA-N
XLogP3.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butan-1-ol
CID 5328502
5-(2,3-Epoxypropoxy)-1-phenylbenzimidazole
CID 5328503
3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propane-1,2-diol
CID 5328504

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]benzimidazole (CID 773982) is 1-[2-(4-methoxyphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]benzimidazole is COc1ccc(OCCn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
The InChIKey is BFZAUEJXOVJJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-13-6-8-14(9-7-13)20-11-10-18-12-17-15-4-2-3-5-16(15)18/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]benzimidazole?
1-[2-(4-methoxyphenoxy)ethyl]benzimidazole has a molecular weight of 268.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 773982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).