4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile

C16H12N4 — CID 67058001

IUPAC4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2-c2cccnc2)cc1
InChIInChI=1S/C16H12N4/c17-10-13-3-5-14(6-4-13)12-20-9-8-19-16(20)15-2-1-7-18-11-15/h1-9,11H,12H2
InChIKeyKOUVJOWGVBIOKP-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.87
Rot. Bonds3

About 4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile

4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile (PubChem CID 67058001) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
PubChem CID67058001
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2-c2cccnc2)cc1
InChIInChI=1S/C16H12N4/c17-10-13-3-5-14(6-4-13)12-20-9-8-19-16(20)15-2-1-7-18-11-15/h1-9,11H,12H2
InChIKeyKOUVJOWGVBIOKP-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile (CID 67058001) is 4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile is N#Cc1ccc(Cn2ccnc2-c2cccnc2)cc1.
What is the InChIKey of 4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile?
The InChIKey is KOUVJOWGVBIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-10-13-3-5-14(6-4-13)12-20-9-8-19-16(20)15-2-1-7-18-11-15/h1-9,11H,12H2.
What are the key properties of 4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile?
4-[(2-pyridin-3-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-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 67058001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).