4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile

C11H9N3O2 — CID 91543065

IUPAC4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(O)c[nH]c2=O)cc1
InChIInChI=1S/C11H9N3O2/c12-5-8-1-3-9(4-2-8)7-14-10(15)6-13-11(14)16/h1-4,6,15H,7H2,(H,13,16)
InChIKeyJRQLJGLDLJUIJH-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.80
Rot. Bonds2

About 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile

4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile (PubChem CID 91543065) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile
PubChem CID91543065
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(O)c[nH]c2=O)cc1
InChIInChI=1S/C11H9N3O2/c12-5-8-1-3-9(4-2-8)7-14-10(15)6-13-11(14)16/h1-4,6,15H,7H2,(H,13,16)
InChIKeyJRQLJGLDLJUIJH-UHFFFAOYSA-N
XLogP0.80
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile
CID 54442529
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
CID 91385427
4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]benzonitrile
CID 63312573
4-[(3-acetyl-2-methylindol-1-yl)methyl]benzonitrile
CID 143390976
4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]benzonitrile
CID 58989817
4-[(3-acetyl-6-methyl-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82064795
1-[(4-cyanophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 112731665
4-[(2-butyl-6-oxo-1-pyridinyl)methyl]benzonitrile
CID 54543964
4-[[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]benzonitrile
CID 51547071
4-[(4-oxopiperidin-1-yl)methyl]benzonitrile
CID 10921862
4-[(5-amino-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
CID 43447883
4-[[5-[(Z)-(6-chloro-7-fluoroindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]methyl]benzonitrile
CID 176825685

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile?
The IUPAC name of 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile (CID 91543065) is 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile is N#Cc1ccc(Cn2c(O)c[nH]c2=O)cc1.
What is the InChIKey of 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile?
The InChIKey is JRQLJGLDLJUIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-5-8-1-3-9(4-2-8)7-14-10(15)6-13-11(14)16/h1-4,6,15H,7H2,(H,13,16).
What are the key properties of 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile?
4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile has a molecular weight of 215.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile is sourced from PubChem (CID 91543065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).