7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one

C12H9N3O2 — CID 117206989

IUPAC7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(O)cccc2n1-c1ccncc1
InChIInChI=1S/C12H9N3O2/c16-10-3-1-2-9-11(10)14-12(17)15(9)8-4-6-13-7-5-8/h1-7,16H,(H,14,17)
InChIKeyKRDYKZOYAWOEML-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.42
Rot. Bonds1

About 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one

7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one (PubChem CID 117206989) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one
PubChem CID117206989
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(O)cccc2n1-c1ccncc1
InChIInChI=1S/C12H9N3O2/c16-10-3-1-2-9-11(10)14-12(17)15(9)8-4-6-13-7-5-8/h1-7,16H,(H,14,17)
InChIKeyKRDYKZOYAWOEML-UHFFFAOYSA-N
XLogP1.42
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206903
3-(3-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206820
7-hydroxy-3-thiophen-2-yl-1H-benzimidazol-2-one
CID 117206617
7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
CID 117206889
3,7-diphenyl-1H-benzimidazol-2-one
CID 174623828
5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one
CID 110491548
4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione
CID 86812176
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117206797
3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one
CID 117206708
8-bromo-3-phenyl-1H-quinazoline-2,4-dione
CID 117261927
8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
CID 117261980
5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one
CID 117208442

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one?
The IUPAC name of 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one (CID 117206989) is 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one?
The canonical SMILES for 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one is O=c1[nH]c2c(O)cccc2n1-c1ccncc1.
What is the InChIKey of 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one?
The InChIKey is KRDYKZOYAWOEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-10-3-1-2-9-11(10)14-12(17)15(9)8-4-6-13-7-5-8/h1-7,16H,(H,14,17).
What are the key properties of 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one?
7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one has a molecular weight of 227.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-pyridin-4-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 117206989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).