3-(2-phenoxyethyl)-1H-benzimidazol-2-one

C15H14N2O2 — CID 3152395

IUPAC3-(2-phenoxyethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C15H14N2O2/c18-15-16-13-8-4-5-9-14(13)17(15)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,18)
InChIKeyHBKKNGCPAPIJLB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.41
Rot. Bonds4

About 3-(2-phenoxyethyl)-1H-benzimidazol-2-one

3-(2-phenoxyethyl)-1H-benzimidazol-2-one (PubChem CID 3152395) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-1H-benzimidazol-2-one
PubChem CID3152395
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-(2-phenoxyethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C15H14N2O2/c18-15-16-13-8-4-5-9-14(13)17(15)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,18)
InChIKeyHBKKNGCPAPIJLB-UHFFFAOYSA-N
XLogP2.41
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-phenoxyethyl)-1H-benzimidazol-2-one (CID 3152395) is 3-(2-phenoxyethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-phenoxyethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-phenoxyethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 3-(2-phenoxyethyl)-1H-benzimidazol-2-one?
The InChIKey is HBKKNGCPAPIJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15-16-13-8-4-5-9-14(13)17(15)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,18).
What are the key properties of 3-(2-phenoxyethyl)-1H-benzimidazol-2-one?
3-(2-phenoxyethyl)-1H-benzimidazol-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 3152395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).