(Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine

C22H26Cl2N6 — CID 6443541

IUPAC(Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine
SMILESClc1cc(N2CCNCC2)ccc1/C=N\N=C/c1ccc(N2CCNCC2)cc1Cl
InChIInChI=1S/C22H26Cl2N6/c23-21-13-19(29-9-5-25-6-10-29)3-1-17(21)15-27-28-16-18-2-4-20(14-22(18)24)30-11-7-26-8-12-30/h1-4,13-16,25-26H,5-12H2/b27-15-,28-16-
InChIKeyTXTLINZNWVLBCW-USYBVIFISA-N
MW445.40 g/mol
LogP3.27
Rot. Bonds5

About (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine

(Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine (PubChem CID 6443541) has the molecular formula C22H26Cl2N6 and a molecular weight of 445.40 g/mol. Its IUPAC name is (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name(Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine
PubChem CID6443541
Molecular FormulaC22H26Cl2N6
Molecular Weight445.40 g/mol
Exact Mass444.16
IUPAC Name(Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine
SMILESClc1cc(N2CCNCC2)ccc1/C=N\N=C/c1ccc(N2CCNCC2)cc1Cl
InChIInChI=1S/C22H26Cl2N6/c23-21-13-19(29-9-5-25-6-10-29)3-1-17(21)15-27-28-16-18-2-4-20(14-22(18)24)30-11-7-26-8-12-30/h1-4,13-16,25-26H,5-12H2/b27-15-,28-16-
InChIKeyTXTLINZNWVLBCW-USYBVIFISA-N
XLogP3.27
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine?
The IUPAC name of (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine (CID 6443541) is (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine.
What is the SMILES notation for (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine?
The canonical SMILES for (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine is Clc1cc(N2CCNCC2)ccc1/C=N\N=C/c1ccc(N2CCNCC2)cc1Cl.
What is the InChIKey of (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine?
The InChIKey is TXTLINZNWVLBCW-USYBVIFISA-N. The full InChI is InChI=1S/C22H26Cl2N6/c23-21-13-19(29-9-5-25-6-10-29)3-1-17(21)15-27-28-16-18-2-4-20(14-22(18)24)30-11-7-26-8-12-30/h1-4,13-16,25-26H,5-12H2/b27-15-,28-16-.
What are the key properties of (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine?
(Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine has a molecular weight of 445.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine is sourced from PubChem (CID 6443541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).