2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile

C24H14N4 — CID 54598273

IUPAC2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2ccccc2C#N)c1-c1ccncn1
InChIInChI=1S/C24H14N4/c25-14-17-6-1-3-8-19(17)21-10-5-11-22(20-9-4-2-7-18(20)15-26)24(21)23-12-13-27-16-28-23/h1-13,16H
InChIKeyODRSWYSOHXGGCC-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.22
Rot. Bonds3

About 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile

2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile (PubChem CID 54598273) has the molecular formula C24H14N4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile
PubChem CID54598273
Molecular FormulaC24H14N4
Molecular Weight358.40 g/mol
Exact Mass358.12
IUPAC Name2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2ccccc2C#N)c1-c1ccncn1
InChIInChI=1S/C24H14N4/c25-14-17-6-1-3-8-19(17)21-10-5-11-22(20-9-4-2-7-18(20)15-26)24(21)23-12-13-27-16-28-23/h1-13,16H
InChIKeyODRSWYSOHXGGCC-UHFFFAOYSA-N
XLogP5.22
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(pyrimidin-4-ylmethyl)phenyl]benzonitrile
CID 174785420
5-fluoro-2-(2-methyl-3-pyrimidin-4-ylphenyl)benzonitrile
CID 67457489
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
CID 106526421
2-[5-amino-2-(pyridin-2-ylamino)-8-pyrimidin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 175743326
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369
2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106526414
2-pyrimidin-4-ylacetonitrile
CID 14169572
1-pyrimidin-4-yl-9H-carbazole
CID 142468899
2-pyrido[2,3-b]pyrazin-8-ylbenzonitrile
CID 142880710
2-(pyrimidin-4-ylmethylamino)benzonitrile
CID 62759502
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136770934

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile?
The IUPAC name of 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile (CID 54598273) is 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile.
What is the SMILES notation for 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile?
The canonical SMILES for 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile is N#Cc1ccccc1-c1cccc(-c2ccccc2C#N)c1-c1ccncn1.
What is the InChIKey of 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile?
The InChIKey is ODRSWYSOHXGGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4/c25-14-17-6-1-3-8-19(17)21-10-5-11-22(20-9-4-2-7-18(20)15-26)24(21)23-12-13-27-16-28-23/h1-13,16H.
What are the key properties of 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile?
2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile has a molecular weight of 358.40 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile is sourced from PubChem (CID 54598273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).