3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one

C13H10N2O3 — CID 56662986

IUPAC3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1cc(O)ccc1O
InChIInChI=1S/C13H10N2O3/c16-8-5-6-12(17)11(7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)
InChIKeyYQNAPFSOVYPMMG-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.73
Rot. Bonds1

About 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one

3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one (PubChem CID 56662986) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one
PubChem CID56662986
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1cc(O)ccc1O
InChIInChI=1S/C13H10N2O3/c16-8-5-6-12(17)11(7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)
InChIKeyYQNAPFSOVYPMMG-UHFFFAOYSA-N
XLogP1.73
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one (CID 56662986) is 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1-c1cc(O)ccc1O.
What is the InChIKey of 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one?
The InChIKey is YQNAPFSOVYPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-8-5-6-12(17)11(7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18).
What are the key properties of 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one?
3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one has a molecular weight of 242.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxyphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 56662986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).