5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one

C12H14N2O3 — CID 117208004

IUPAC5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(O)cc2n1C1CCCCO1
InChIInChI=1S/C12H14N2O3/c15-8-4-5-9-10(7-8)14(12(16)13-9)11-3-1-2-6-17-11/h4-5,7,11,15H,1-3,6H2,(H,13,16)
InChIKeyQMBOEADSQJDDJT-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.73
Rot. Bonds1

About 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one

5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one (PubChem CID 117208004) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one
PubChem CID117208004
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(O)cc2n1C1CCCCO1
InChIInChI=1S/C12H14N2O3/c15-8-4-5-9-10(7-8)14(12(16)13-9)11-3-1-2-6-17-11/h4-5,7,11,15H,1-3,6H2,(H,13,16)
InChIKeyQMBOEADSQJDDJT-UHFFFAOYSA-N
XLogP1.73
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one (CID 117208004) is 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(O)cc2n1C1CCCCO1.
What is the InChIKey of 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one?
The InChIKey is QMBOEADSQJDDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-8-4-5-9-10(7-8)14(12(16)13-9)11-3-1-2-6-17-11/h4-5,7,11,15H,1-3,6H2,(H,13,16).
What are the key properties of 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one?
5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).