2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile

C20H17N3 — CID 575733

IUPAC2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccc(=NCc2ccccc2)cc1
InChIInChI=1S/C20H17N3/c21-14-18-8-4-5-9-19(18)16-23-12-10-20(11-13-23)22-15-17-6-2-1-3-7-17/h1-13H,15-16H2
InChIKeyQKEPIVKGBCEVKX-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.51
Rot. Bonds4

About 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile

2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile (PubChem CID 575733) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile
PubChem CID575733
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccc(=NCc2ccccc2)cc1
InChIInChI=1S/C20H17N3/c21-14-18-8-4-5-9-19(18)16-23-12-10-20(11-13-23)22-15-17-6-2-1-3-7-17/h1-13H,15-16H2
InChIKeyQKEPIVKGBCEVKX-UHFFFAOYSA-N
XLogP3.51
TPSA41.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile?
The IUPAC name of 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile (CID 575733) is 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile.
What is the SMILES notation for 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile?
The canonical SMILES for 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile is N#Cc1ccccc1Cn1ccc(=NCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile?
The InChIKey is QKEPIVKGBCEVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c21-14-18-8-4-5-9-19(18)16-23-12-10-20(11-13-23)22-15-17-6-2-1-3-7-17/h1-13H,15-16H2.
What are the key properties of 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile?
2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile has a molecular weight of 299.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylimino-1-pyridinyl)methyl]benzonitrile is sourced from PubChem (CID 575733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).