(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

C17H18ClF3N3O+ — CID 9058658

IUPAC(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
SMILESC[NH+]1CCN(/N=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)CC1
InChIInChI=1S/C17H17ClF3N3O/c1-23-6-8-24(9-7-23)22-11-13-3-5-16(25-13)12-2-4-15(18)14(10-12)17(19,20)21/h2-5,10-11H,6-9H2,1H3/p+1/b22-11-
InChIKeyGQBOOAWZTLLYRT-JJFYIABZSA-O
MW372.80 g/mol
LogP2.78
Rot. Bonds3

About (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine (PubChem CID 9058658) has the molecular formula C17H18ClF3N3O+ and a molecular weight of 372.80 g/mol. Its IUPAC name is (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
PubChem CID9058658
Molecular FormulaC17H18ClF3N3O+
Molecular Weight372.80 g/mol
Exact Mass372.11
IUPAC Name(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
SMILESC[NH+]1CCN(/N=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)CC1
InChIInChI=1S/C17H17ClF3N3O/c1-23-6-8-24(9-7-23)22-11-13-3-5-16(25-13)12-2-4-15(18)14(10-12)17(19,20)21/h2-5,10-11H,6-9H2,1H3/p+1/b22-11-
InChIKeyGQBOOAWZTLLYRT-JJFYIABZSA-O
XLogP2.78
TPSA33.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine 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

N-[(Z)-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 9074232
(E)-3-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
CID 67169287
2-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(Z)-2-nitroprop-1-enyl]furan
CID 70653843
(4-amino-5-methyl-1,2,4-triazol-3-yl)imino-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]azanium
CID 6386352
(5E)-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 2209676
(Z)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6113221
2-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 4532460
(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
CID 5403502
(5Z)-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126091515
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135487149
6-[(5Z)-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 11432094
2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
CID 5437075

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The IUPAC name of (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine (CID 9058658) is (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine.
What is the SMILES notation for (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The canonical SMILES for (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine is C[NH+]1CCN(/N=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)CC1.
What is the InChIKey of (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
The InChIKey is GQBOOAWZTLLYRT-JJFYIABZSA-O. The full InChI is InChI=1S/C17H17ClF3N3O/c1-23-6-8-24(9-7-23)22-11-13-3-5-16(25-13)12-2-4-15(18)14(10-12)17(19,20)21/h2-5,10-11H,6-9H2,1H3/p+1/b22-11-.
What are the key properties of (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine?
(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine has a molecular weight of 372.80 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine is sourced from PubChem (CID 9058658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).