2-(benzhydrylideneamino)acetonitrile

C15H12N2 — CID 612957

IUPAC2-(benzhydrylideneamino)acetonitrile
SMILESN#CCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2
InChIKeyVRLJFRODHVSTIK-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.05
Rot. Bonds3

About 2-(benzhydrylideneamino)acetonitrile

2-(benzhydrylideneamino)acetonitrile (PubChem CID 612957) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)acetonitrile.

Molecular Properties

Compound Name2-(benzhydrylideneamino)acetonitrile
PubChem CID612957
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name2-(benzhydrylideneamino)acetonitrile
SMILESN#CCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2
InChIKeyVRLJFRODHVSTIK-UHFFFAOYSA-N
XLogP3.05
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylideneamino)acetonitrile?
The IUPAC name of 2-(benzhydrylideneamino)acetonitrile (CID 612957) is 2-(benzhydrylideneamino)acetonitrile.
What is the SMILES notation for 2-(benzhydrylideneamino)acetonitrile?
The canonical SMILES for 2-(benzhydrylideneamino)acetonitrile is N#CCN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylideneamino)acetonitrile?
The InChIKey is VRLJFRODHVSTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2.
What are the key properties of 2-(benzhydrylideneamino)acetonitrile?
2-(benzhydrylideneamino)acetonitrile has a molecular weight of 220.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)acetonitrile is sourced from PubChem (CID 612957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).