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

C23H21Cl2N3 — CID 19133351

IUPACN-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine
SMILESClc1cccc(N2CCN(/C(=N/c3ccccc3Cl)c3ccccc3)CC2)c1
InChIInChI=1S/C23H21Cl2N3/c24-19-9-6-10-20(17-19)27-13-15-28(16-14-27)23(18-7-2-1-3-8-18)26-22-12-5-4-11-21(22)25/h1-12,17H,13-16H2/b26-23+
InChIKeyGWWDAWXYWLVGMY-WNAAXNPUSA-N
MW410.35 g/mol
LogP5.89
Rot. Bonds3

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

N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine (PubChem CID 19133351) has the molecular formula C23H21Cl2N3 and a molecular weight of 410.35 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine
PubChem CID19133351
Molecular FormulaC23H21Cl2N3
Molecular Weight410.35 g/mol
Exact Mass409.11
IUPAC NameN-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine
SMILESClc1cccc(N2CCN(/C(=N/c3ccccc3Cl)c3ccccc3)CC2)c1
InChIInChI=1S/C23H21Cl2N3/c24-19-9-6-10-20(17-19)27-13-15-28(16-14-27)23(18-7-2-1-3-8-18)26-22-12-5-4-11-21(22)25/h1-12,17H,13-16H2/b26-23+
InChIKeyGWWDAWXYWLVGMY-WNAAXNPUSA-N
XLogP5.89
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.35
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine?
The IUPAC name of N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine (CID 19133351) is N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine.
What is the SMILES notation for N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine?
The canonical SMILES for N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine is Clc1cccc(N2CCN(/C(=N/c3ccccc3Cl)c3ccccc3)CC2)c1.
What is the InChIKey of N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine?
The InChIKey is GWWDAWXYWLVGMY-WNAAXNPUSA-N. The full InChI is InChI=1S/C23H21Cl2N3/c24-19-9-6-10-20(17-19)27-13-15-28(16-14-27)23(18-7-2-1-3-8-18)26-22-12-5-4-11-21(22)25/h1-12,17H,13-16H2/b26-23+.
What are the key properties of N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine?
N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine has a molecular weight of 410.35 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylmethanimine is sourced from PubChem (CID 19133351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).