5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one

C13H10N2O3 — CID 117208442

IUPAC5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(O)cc2n1-c1ccc(O)cc1
InChIInChI=1S/C13H10N2O3/c16-9-3-1-8(2-4-9)15-12-7-10(17)5-6-11(12)14-13(15)18/h1-7,16-17H,(H,14,18)
InChIKeyXFKZSOOYAVTCOJ-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.73
Rot. Bonds1

About 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one

5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one (PubChem CID 117208442) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one
PubChem CID117208442
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(O)cc2n1-c1ccc(O)cc1
InChIInChI=1S/C13H10N2O3/c16-9-3-1-8(2-4-9)15-12-7-10(17)5-6-11(12)14-13(15)18/h1-7,16-17H,(H,14,18)
InChIKeyXFKZSOOYAVTCOJ-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

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Related Compounds

3-(4-chlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783701
5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one
CID 110491548
methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate
CID 164735105
3-[4-(aminomethyl)phenyl]-5-chloro-1H-benzimidazol-2-one
CID 70094432
5-ethyl-3-phenyl-1H-benzimidazol-2-one
CID 118974801
5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one
CID 117207732
5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261137
3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one
CID 151138139
3-(1,1-dioxothiolan-3-yl)-5-hydroxy-1H-benzimidazol-2-one
CID 117207764
2,6-bis(4-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634046
5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
CID 117207966
6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one
CID 163220152

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one (CID 117208442) is 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(O)cc2n1-c1ccc(O)cc1.
What is the InChIKey of 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one?
The InChIKey is XFKZSOOYAVTCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-9-3-1-8(2-4-9)15-12-7-10(17)5-6-11(12)14-13(15)18/h1-7,16-17H,(H,14,18).
What are the key properties of 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one?
5-hydroxy-3-(4-hydroxyphenyl)-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 5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).