2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile

C14H9N3O3 — CID 69445541

IUPAC2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile
SMILESN#Cc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O
InChIInChI=1S/C14H9N3O3/c15-7-8-5-11(13(19)6-12(8)18)17-10-4-2-1-3-9(10)16-14(17)20/h1-6,18-19H,(H,16,20)
InChIKeyVBVVNEBVNOLIJG-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.60
Rot. Bonds1

About 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile

2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile (PubChem CID 69445541) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile
PubChem CID69445541
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile
SMILESN#Cc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O
InChIInChI=1S/C14H9N3O3/c15-7-8-5-11(13(19)6-12(8)18)17-10-4-2-1-3-9(10)16-14(17)20/h1-6,18-19H,(H,16,20)
InChIKeyVBVVNEBVNOLIJG-UHFFFAOYSA-N
XLogP1.60
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
CID 69442217
3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
CID 69444922
1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-3H-benzimidazole-5-carbonitrile
CID 69439865
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one
CID 150942006
3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 69441713
2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82514443
2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
CID 70143818
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 82513986
3-[2,4-dihydroxy-5-[3-(trifluoromethyl)phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 87835766
3-quinolin-5-yl-1H-benzimidazol-2-one
CID 146175427

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile?
The IUPAC name of 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile (CID 69445541) is 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile.
What is the SMILES notation for 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile?
The canonical SMILES for 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile is N#Cc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile?
The InChIKey is VBVVNEBVNOLIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c15-7-8-5-11(13(19)6-12(8)18)17-10-4-2-1-3-9(10)16-14(17)20/h1-6,18-19H,(H,16,20).
What are the key properties of 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile?
2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile has a molecular weight of 267.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile is sourced from PubChem (CID 69445541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).