2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol

C18H19BrClN3O2 — CID 135676753

IUPAC2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
SMILESCOc1cc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc(Br)c1O
InChIInChI=1S/C18H19BrClN3O2/c1-25-17-11-13(10-16(19)18(17)24)12-21-23-8-6-22(7-9-23)15-4-2-14(20)3-5-15/h2-5,10-12,24H,6-9H2,1H3
InChIKeyIULBZUFEEOAOIC-UHFFFAOYSA-N
MW424.73 g/mol
LogP3.97
Rot. Bonds4

About 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol

2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol (PubChem CID 135676753) has the molecular formula C18H19BrClN3O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
PubChem CID135676753
Molecular FormulaC18H19BrClN3O2
Molecular Weight424.73 g/mol
Exact Mass423.03
IUPAC Name2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
SMILESCOc1cc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc(Br)c1O
InChIInChI=1S/C18H19BrClN3O2/c1-25-17-11-13(10-16(19)18(17)24)12-21-23-8-6-22(7-9-23)15-4-2-14(20)3-5-15/h2-5,10-12,24H,6-9H2,1H3
InChIKeyIULBZUFEEOAOIC-UHFFFAOYSA-N
XLogP3.97
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-methoxy-4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
CID 135576721
2-bromo-6-methoxy-4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol;hydrochloride
CID 135676125
2-bromo-6-methoxy-4-(piperidin-1-yliminomethyl)phenol
CID 2345813
N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 795095
4-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-2-bromo-6-methoxyphenol
CID 135895133
2-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135603180
3-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]phenol
CID 870110
2-bromo-4-[(Z)-[(4-chlorophenyl)methylhydrazinylidene]methyl]-6-methoxyphenol
CID 137075508
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 1361808
2,6-dimethoxy-4-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenol
CID 135852429
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 136847021
(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50871980

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol (CID 135676753) is 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol is COc1cc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol?
The InChIKey is IULBZUFEEOAOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O2/c1-25-17-11-13(10-16(19)18(17)24)12-21-23-8-6-22(7-9-23)15-4-2-14(20)3-5-15/h2-5,10-12,24H,6-9H2,1H3.
What are the key properties of 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol?
2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol has a molecular weight of 424.73 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135676753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).