1-benzyl-5-ethoxybenzimidazole

C16H16N2O — CID 760402

IUPAC1-benzyl-5-ethoxybenzimidazole
SMILESCCOc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C16H16N2O/c1-2-19-14-8-9-16-15(10-14)17-12-18(16)11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3
InChIKeyYZDNACDUHBTHRW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.48
Rot. Bonds4

About 1-benzyl-5-ethoxybenzimidazole

1-benzyl-5-ethoxybenzimidazole (PubChem CID 760402) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-benzyl-5-ethoxybenzimidazole.

Molecular Properties

Compound Name1-benzyl-5-ethoxybenzimidazole
PubChem CID760402
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-benzyl-5-ethoxybenzimidazole
SMILESCCOc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C16H16N2O/c1-2-19-14-8-9-16-15(10-14)17-12-18(16)11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3
InChIKeyYZDNACDUHBTHRW-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethoxybenzimidazole?
The IUPAC name of 1-benzyl-5-ethoxybenzimidazole (CID 760402) is 1-benzyl-5-ethoxybenzimidazole.
What is the SMILES notation for 1-benzyl-5-ethoxybenzimidazole?
The canonical SMILES for 1-benzyl-5-ethoxybenzimidazole is CCOc1ccc2c(c1)ncn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethoxybenzimidazole?
The InChIKey is YZDNACDUHBTHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-19-14-8-9-16-15(10-14)17-12-18(16)11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3.
What are the key properties of 1-benzyl-5-ethoxybenzimidazole?
1-benzyl-5-ethoxybenzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethoxybenzimidazole is sourced from PubChem (CID 760402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).