2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile

C22H18N2 — CID 14591087

IUPAC2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2/c1-17-10-8-9-15-20(17)21(16-23)24-22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,21H,1H3
InChIKeyKFTYIYSLLSTCDV-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.10
Rot. Bonds4

About 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile

2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile (PubChem CID 14591087) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile
PubChem CID14591087
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2/c1-17-10-8-9-15-20(17)21(16-23)24-22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,21H,1H3
InChIKeyKFTYIYSLLSTCDV-UHFFFAOYSA-N
XLogP5.10
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzhydrylideneamino)butanenitrile
CID 24977176
N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
CID 63177992
(2R,3R)-3-anilino-2-(benzhydrylideneamino)-3-(4-methylphenyl)propanenitrile
CID 40549544
4-[2-cyano-2-(2-methylphenyl)ethyl]benzoic acid
CID 82139680
(2S)-3-methyl-2-(2-methylphenyl)butanenitrile
CID 92978892
3-[[2-[1-(benzhydrylideneamino)-2-methylpropyl]phenyl]methyl]benzonitrile
CID 139946079
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
2-(benzhydrylideneamino)-4,4,4-trifluorobutanenitrile
CID 170357738
2-[hydroxy-(2-methylphenyl)methyl]butanenitrile
CID 79136882
(2S)-2-methoxy-2-(2-methylphenyl)acetonitrile
CID 97030932
1,1-diphenyl-N-[1-(2,4,6-trimethylphenyl)ethyl]methanimine
CID 589790
4-methyl-2-(2-methylphenyl)-3-oxopentanenitrile
CID 43156731

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile?
The IUPAC name of 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile (CID 14591087) is 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile is Cc1ccccc1C(C#N)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile?
The InChIKey is KFTYIYSLLSTCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-17-10-8-9-15-20(17)21(16-23)24-22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,21H,1H3.
What are the key properties of 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile?
2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile has a molecular weight of 310.40 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 14591087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).