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

C12H14N2O3 — CID 117208712

IUPAC4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1C1CCCOC1
InChIInChI=1S/C12H14N2O3/c15-10-5-1-4-9-11(10)14(12(16)13-9)8-3-2-6-17-7-8/h1,4-5,8,15H,2-3,6-7H2,(H,13,16)
InChIKeyLAWLIHVBULZEOC-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.39
Rot. Bonds1

About 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one

4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one (PubChem CID 117208712) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
PubChem CID117208712
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1C1CCCOC1
InChIInChI=1S/C12H14N2O3/c15-10-5-1-4-9-11(10)14(12(16)13-9)8-3-2-6-17-7-8/h1,4-5,8,15H,2-3,6-7H2,(H,13,16)
InChIKeyLAWLIHVBULZEOC-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117208534
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017
3-(1,1-dioxothian-3-yl)-4-hydroxy-1H-benzimidazol-2-one
CID 117208714
4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
CID 117208718
4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117208560
7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206305
6-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207162
7-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206304
5-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207901
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523352
5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117260961

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one (CID 117208712) is 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one is O=c1[nH]c2cccc(O)c2n1C1CCCOC1.
What is the InChIKey of 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one?
The InChIKey is LAWLIHVBULZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-10-5-1-4-9-11(10)14(12(16)13-9)8-3-2-6-17-7-8/h1,4-5,8,15H,2-3,6-7H2,(H,13,16).
What are the key properties of 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one?
4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).