5-ethoxy-1-phenylbenzimidazole

C15H14N2O — CID 5328497

IUPAC5-ethoxy-1-phenylbenzimidazole
SMILESCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C15H14N2O/c1-2-18-13-8-9-15-14(10-13)16-11-17(15)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyJFCSRORENGKHOD-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.42
Rot. Bonds3

About 5-ethoxy-1-phenylbenzimidazole

5-ethoxy-1-phenylbenzimidazole (PubChem CID 5328497) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethoxy-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-ethoxy-1-phenylbenzimidazole
PubChem CID5328497
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-ethoxy-1-phenylbenzimidazole
SMILESCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C15H14N2O/c1-2-18-13-8-9-15-14(10-13)16-11-17(15)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyJFCSRORENGKHOD-UHFFFAOYSA-N
XLogP3.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-phenylbenzimidazole?
The IUPAC name of 5-ethoxy-1-phenylbenzimidazole (CID 5328497) is 5-ethoxy-1-phenylbenzimidazole.
What is the SMILES notation for 5-ethoxy-1-phenylbenzimidazole?
The canonical SMILES for 5-ethoxy-1-phenylbenzimidazole is CCOc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 5-ethoxy-1-phenylbenzimidazole?
The InChIKey is JFCSRORENGKHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-18-13-8-9-15-14(10-13)16-11-17(15)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of 5-ethoxy-1-phenylbenzimidazole?
5-ethoxy-1-phenylbenzimidazole has a molecular weight of 238.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-phenylbenzimidazole is sourced from PubChem (CID 5328497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).