N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine

C26H18Cl2N2 — CID 634720

IUPACN-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine
SMILESClc1cc(-c2ccc(/N=C/c3ccccc3)c(Cl)c2)ccc1/N=C/c1ccccc1
InChIInChI=1S/C26H18Cl2N2/c27-23-15-21(11-13-25(23)29-17-19-7-3-1-4-8-19)22-12-14-26(24(28)16-22)30-18-20-9-5-2-6-10-20/h1-18H/b29-17+,30-18+
InChIKeyPXPMURPRMMGGBR-YAGSLNJISA-N
MW429.35 g/mol
LogP8.16
Rot. Bonds5

About N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine

N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine (PubChem CID 634720) has the molecular formula C26H18Cl2N2 and a molecular weight of 429.35 g/mol. Its IUPAC name is N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine
PubChem CID634720
Molecular FormulaC26H18Cl2N2
Molecular Weight429.35 g/mol
Exact Mass428.08
IUPAC NameN-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine
SMILESClc1cc(-c2ccc(/N=C/c3ccccc3)c(Cl)c2)ccc1/N=C/c1ccccc1
InChIInChI=1S/C26H18Cl2N2/c27-23-15-21(11-13-25(23)29-17-19-7-3-1-4-8-19)22-12-14-26(24(28)16-22)30-18-20-9-5-2-6-10-20/h1-18H/b29-17+,30-18+
InChIKeyPXPMURPRMMGGBR-YAGSLNJISA-N
XLogP8.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 58.16
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 N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine (CID 634720) is N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine is Clc1cc(-c2ccc(/N=C/c3ccccc3)c(Cl)c2)ccc1/N=C/c1ccccc1.
What is the InChIKey of N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine?
The InChIKey is PXPMURPRMMGGBR-YAGSLNJISA-N. The full InChI is InChI=1S/C26H18Cl2N2/c27-23-15-21(11-13-25(23)29-17-19-7-3-1-4-8-19)22-12-14-26(24(28)16-22)30-18-20-9-5-2-6-10-20/h1-18H/b29-17+,30-18+.
What are the key properties of N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine?
N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine has a molecular weight of 429.35 g/mol, XLogP of 8.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine is sourced from PubChem (CID 634720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).