(Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine

C23H21ClN2 — CID 102340891

IUPAC(Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine
SMILESClc1ccc(C(=C/NCc2ccccc2)/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2/c24-23-13-11-21(12-14-23)22(17-25-15-19-7-3-1-4-8-19)18-26-16-20-9-5-2-6-10-20/h1-14,17-18,25H,15-16H2/b22-17+,26-18+
InChIKeyBVOQWWQWYLQNBX-VWLIMRMXSA-N
MW360.89 g/mol
LogP5.74
Rot. Bonds7

About (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine

(Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine (PubChem CID 102340891) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine
PubChem CID102340891
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name(Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine
SMILESClc1ccc(C(=C/NCc2ccccc2)/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2/c24-23-13-11-21(12-14-23)22(17-25-15-19-7-3-1-4-8-19)18-26-16-20-9-5-2-6-10-20/h1-14,17-18,25H,15-16H2/b22-17+,26-18+
InChIKeyBVOQWWQWYLQNBX-VWLIMRMXSA-N
XLogP5.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine?
The IUPAC name of (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine (CID 102340891) is (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine is Clc1ccc(C(=C/NCc2ccccc2)/C=N/Cc2ccccc2)cc1.
What is the InChIKey of (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine?
The InChIKey is BVOQWWQWYLQNBX-VWLIMRMXSA-N. The full InChI is InChI=1S/C23H21ClN2/c24-23-13-11-21(12-14-23)22(17-25-15-19-7-3-1-4-8-19)18-26-16-20-9-5-2-6-10-20/h1-14,17-18,25H,15-16H2/b22-17+,26-18+.
What are the key properties of (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine?
(Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine has a molecular weight of 360.89 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-3-benzylimino-2-(4-chlorophenyl)prop-1-en-1-amine is sourced from PubChem (CID 102340891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).