4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile

C16H12N4 — CID 45103911

IUPAC4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2-c2ccncc2)cc1
InChIInChI=1S/C16H12N4/c17-9-13-1-3-14(4-2-13)11-20-12-19-10-16(20)15-5-7-18-8-6-15/h1-8,10,12H,11H2
InChIKeyJQIVWNYGSDPIRG-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.87
Rot. Bonds3

About 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile

4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile (PubChem CID 45103911) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile
PubChem CID45103911
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2-c2ccncc2)cc1
InChIInChI=1S/C16H12N4/c17-9-13-1-3-14(4-2-13)11-20-12-19-10-16(20)15-5-7-18-8-6-15/h1-8,10,12H,11H2
InChIKeyJQIVWNYGSDPIRG-UHFFFAOYSA-N
XLogP2.87
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fadrozole
CID 59693
Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)
CID 59694
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-670462
CID 51049607
4-(Imidazol-1-ylmethyl)benzonitrile
CID 1236449
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
VK-19911
CID 9797240
FR-79620
CID 10421577
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626

Frequently Asked Questions

What is the IUPAC name of 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile (CID 45103911) is 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile is N#Cc1ccc(Cn2cncc2-c2ccncc2)cc1.
What is the InChIKey of 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile?
The InChIKey is JQIVWNYGSDPIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-9-13-1-3-14(4-2-13)11-20-12-19-10-16(20)15-5-7-18-8-6-15/h1-8,10,12H,11H2.
What are the key properties of 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile?
4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile has a molecular weight of 260.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-pyridin-4-ylimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 45103911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).