4-(benzhydryliminomethyl)benzonitrile

C21H16N2 — CID 5461665

IUPAC4-(benzhydryliminomethyl)benzonitrile
SMILESN#Cc1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16N2/c22-15-17-11-13-18(14-12-17)16-23-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,16,21H/b23-16+
InChIKeyXZLBSOQULMPNSM-XQNSMLJCSA-N
MW296.37 g/mol
LogP4.77
Rot. Bonds4

About 4-(benzhydryliminomethyl)benzonitrile

4-(benzhydryliminomethyl)benzonitrile (PubChem CID 5461665) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(benzhydryliminomethyl)benzonitrile.

Molecular Properties

Compound Name4-(benzhydryliminomethyl)benzonitrile
PubChem CID5461665
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name4-(benzhydryliminomethyl)benzonitrile
SMILESN#Cc1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16N2/c22-15-17-11-13-18(14-12-17)16-23-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,16,21H/b23-16+
InChIKeyXZLBSOQULMPNSM-XQNSMLJCSA-N
XLogP4.77
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydryliminomethyl)benzonitrile?
The IUPAC name of 4-(benzhydryliminomethyl)benzonitrile (CID 5461665) is 4-(benzhydryliminomethyl)benzonitrile.
What is the SMILES notation for 4-(benzhydryliminomethyl)benzonitrile?
The canonical SMILES for 4-(benzhydryliminomethyl)benzonitrile is N#Cc1ccc(/C=N/C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(benzhydryliminomethyl)benzonitrile?
The InChIKey is XZLBSOQULMPNSM-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H16N2/c22-15-17-11-13-18(14-12-17)16-23-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,16,21H/b23-16+.
What are the key properties of 4-(benzhydryliminomethyl)benzonitrile?
4-(benzhydryliminomethyl)benzonitrile has a molecular weight of 296.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydryliminomethyl)benzonitrile is sourced from PubChem (CID 5461665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).