4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile

C20H13N3O2 — CID 132991798

IUPAC4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile
SMILESN#Cc1ccc(O)c(-c2ccc(O)c(-c3cn4ccccc4n3)c2)c1
InChIInChI=1S/C20H13N3O2/c21-11-13-4-6-18(24)15(9-13)14-5-7-19(25)16(10-14)17-12-23-8-2-1-3-20(23)22-17/h1-10,12,24-25H
InChIKeyRBCFVLOJLWCUCX-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.95
Rot. Bonds2

About 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile

4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile (PubChem CID 132991798) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile.

Molecular Properties

Compound Name4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile
PubChem CID132991798
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile
SMILESN#Cc1ccc(O)c(-c2ccc(O)c(-c3cn4ccccc4n3)c2)c1
InChIInChI=1S/C20H13N3O2/c21-11-13-4-6-18(24)15(9-13)14-5-7-19(25)16(10-14)17-12-23-8-2-1-3-20(23)22-17/h1-10,12,24-25H
InChIKeyRBCFVLOJLWCUCX-UHFFFAOYSA-N
XLogP3.95
TPSA81.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile
CID 141122443
4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile
CID 54611473
4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide
CID 122283678
4-(imidazo[1,2-a]pyridin-2-ylmethyl)benzonitrile
CID 102282894
2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine
CID 177481874
5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile
CID 22923090
2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide
CID 174721546
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydrobromide
CID 19234119
2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridine
CID 71284518
(2-imidazo[1,2-a]pyridin-2-ylphenyl) hydrogen carbonate
CID 135030601

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile?
The IUPAC name of 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile (CID 132991798) is 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile.
What is the SMILES notation for 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile?
The canonical SMILES for 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile is N#Cc1ccc(O)c(-c2ccc(O)c(-c3cn4ccccc4n3)c2)c1.
What is the InChIKey of 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile?
The InChIKey is RBCFVLOJLWCUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c21-11-13-4-6-18(24)15(9-13)14-5-7-19(25)16(10-14)17-12-23-8-2-1-3-20(23)22-17/h1-10,12,24-25H.
What are the key properties of 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile?
4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile has a molecular weight of 327.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-hydroxy-3-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile is sourced from PubChem (CID 132991798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).