(E)-N-benzhydryl-3-phenylprop-2-en-1-imine

C22H19N — CID 10735426

IUPAC(E)-N-benzhydryl-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N/c1-4-11-19(12-5-1)13-10-18-23-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-18,22H/b13-10+,23-18+
InChIKeyXZOOIBRWAUBGQE-QSUZBBGVSA-N
MW297.40 g/mol
LogP5.56
Rot. Bonds5

About (E)-N-benzhydryl-3-phenylprop-2-en-1-imine

(E)-N-benzhydryl-3-phenylprop-2-en-1-imine (PubChem CID 10735426) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is (E)-N-benzhydryl-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-benzhydryl-3-phenylprop-2-en-1-imine
PubChem CID10735426
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name(E)-N-benzhydryl-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N/c1-4-11-19(12-5-1)13-10-18-23-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-18,22H/b13-10+,23-18+
InChIKeyXZOOIBRWAUBGQE-QSUZBBGVSA-N
XLogP5.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-N-benzhydryl-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-N-benzhydryl-3-phenylprop-2-en-1-imine (CID 10735426) is (E)-N-benzhydryl-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-benzhydryl-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-N-benzhydryl-3-phenylprop-2-en-1-imine is C(=C/c1ccccc1)\C=N\C(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-benzhydryl-3-phenylprop-2-en-1-imine?
The InChIKey is XZOOIBRWAUBGQE-QSUZBBGVSA-N. The full InChI is InChI=1S/C22H19N/c1-4-11-19(12-5-1)13-10-18-23-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-18,22H/b13-10+,23-18+.
What are the key properties of (E)-N-benzhydryl-3-phenylprop-2-en-1-imine?
(E)-N-benzhydryl-3-phenylprop-2-en-1-imine has a molecular weight of 297.40 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzhydryl-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 10735426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).