1-ethyl-2-(phenoxymethyl)benzimidazole

C16H16N2O — CID 709590

IUPAC1-ethyl-2-(phenoxymethyl)benzimidazole
SMILESCCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-2-18-15-11-7-6-10-14(15)17-16(18)12-19-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyAZIZISXKSAPRMG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.64
Rot. Bonds4

About 1-ethyl-2-(phenoxymethyl)benzimidazole

1-ethyl-2-(phenoxymethyl)benzimidazole (PubChem CID 709590) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-ethyl-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-(phenoxymethyl)benzimidazole
PubChem CID709590
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-ethyl-2-(phenoxymethyl)benzimidazole
SMILESCCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-2-18-15-11-7-6-10-14(15)17-16(18)12-19-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyAZIZISXKSAPRMG-UHFFFAOYSA-N
XLogP3.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 1-ethyl-2-(phenoxymethyl)benzimidazole (CID 709590) is 1-ethyl-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 1-ethyl-2-(phenoxymethyl)benzimidazole is CCn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-(phenoxymethyl)benzimidazole?
The InChIKey is AZIZISXKSAPRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-18-15-11-7-6-10-14(15)17-16(18)12-19-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-ethyl-2-(phenoxymethyl)benzimidazole?
1-ethyl-2-(phenoxymethyl)benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 709590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).