5-ethoxybenzimidazol-2-one

C9H8N2O2 — CID 22754951

IUPAC5-ethoxybenzimidazol-2-one
SMILESCCOc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C9H8N2O2/c1-2-13-6-3-4-7-8(5-6)11-9(12)10-7/h3-5H,2H2,1H3
InChIKeyIBSSDENJTVMNAS-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.46
Rot. Bonds2

About 5-ethoxybenzimidazol-2-one

5-ethoxybenzimidazol-2-one (PubChem CID 22754951) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-ethoxybenzimidazol-2-one.

Molecular Properties

Compound Name5-ethoxybenzimidazol-2-one
PubChem CID22754951
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-ethoxybenzimidazol-2-one
SMILESCCOc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C9H8N2O2/c1-2-13-6-3-4-7-8(5-6)11-9(12)10-7/h3-5H,2H2,1H3
InChIKeyIBSSDENJTVMNAS-UHFFFAOYSA-N
XLogP0.46
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxybenzimidazol-2-one?
The IUPAC name of 5-ethoxybenzimidazol-2-one (CID 22754951) is 5-ethoxybenzimidazol-2-one.
What is the SMILES notation for 5-ethoxybenzimidazol-2-one?
The canonical SMILES for 5-ethoxybenzimidazol-2-one is CCOc1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of 5-ethoxybenzimidazol-2-one?
The InChIKey is IBSSDENJTVMNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-2-13-6-3-4-7-8(5-6)11-9(12)10-7/h3-5H,2H2,1H3.
What are the key properties of 5-ethoxybenzimidazol-2-one?
5-ethoxybenzimidazol-2-one has a molecular weight of 176.17 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxybenzimidazol-2-one is sourced from PubChem (CID 22754951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).