1-(2-phenoxyethyl)benzimidazole

C15H14N2O — CID 709562

IUPAC1-(2-phenoxyethyl)benzimidazole
SMILESc1ccc(OCCn2cnc3ccccc32)cc1
InChIInChI=1S/C15H14N2O/c1-2-6-13(7-3-1)18-11-10-17-12-16-14-8-4-5-9-15(14)17/h1-9,12H,10-11H2
InChIKeyZXIXGRUPESYHJD-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.12
Rot. Bonds4

About 1-(2-phenoxyethyl)benzimidazole

1-(2-phenoxyethyl)benzimidazole (PubChem CID 709562) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-phenoxyethyl)benzimidazole
PubChem CID709562
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(2-phenoxyethyl)benzimidazole
SMILESc1ccc(OCCn2cnc3ccccc32)cc1
InChIInChI=1S/C15H14N2O/c1-2-6-13(7-3-1)18-11-10-17-12-16-14-8-4-5-9-15(14)17/h1-9,12H,10-11H2
InChIKeyZXIXGRUPESYHJD-UHFFFAOYSA-N
XLogP3.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
4-(1H-1,3-benzodiazol-1-yl)phenol
CID 5328449
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-phenoxyethyl)benzimidazole?
The IUPAC name of 1-(2-phenoxyethyl)benzimidazole (CID 709562) is 1-(2-phenoxyethyl)benzimidazole.
What is the SMILES notation for 1-(2-phenoxyethyl)benzimidazole?
The canonical SMILES for 1-(2-phenoxyethyl)benzimidazole is c1ccc(OCCn2cnc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)benzimidazole?
The InChIKey is ZXIXGRUPESYHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-6-13(7-3-1)18-11-10-17-12-16-14-8-4-5-9-15(14)17/h1-9,12H,10-11H2.
What are the key properties of 1-(2-phenoxyethyl)benzimidazole?
1-(2-phenoxyethyl)benzimidazole has a molecular weight of 238.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)benzimidazole is sourced from PubChem (CID 709562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).