1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

C19H18Cl2N4O2 — CID 4019136

IUPAC1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cc(C=Nn2c(C)nnc2C)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N4O2/c1-12-23-24-13(2)25(12)22-10-14-4-7-18(19(8-14)26-3)27-11-15-5-6-16(20)9-17(15)21/h4-10H,11H2,1-3H3
InChIKeyDWXJCMLWRZEJOC-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.67
Rot. Bonds6

About 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 4019136) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
PubChem CID4019136
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cc(C=Nn2c(C)nnc2C)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N4O2/c1-12-23-24-13(2)25(12)22-10-14-4-7-18(19(8-14)26-3)27-11-15-5-6-16(20)9-17(15)21/h4-10H,11H2,1-3H3
InChIKeyDWXJCMLWRZEJOC-UHFFFAOYSA-N
XLogP4.67
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-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

3-[(3,4-dichlorobenzyl)oxy]benzaldehyde (4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazone dihydrochloride
CID 56642923
2-[(2-chlorobenzyl)oxy]-3-methoxybenzaldehyde (4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazone dihydrochloride
CID 56642934
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 9554680
2-(5-Amino-1H-tetrazol-1-yl)-N'-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxybenzylidene}acetohydrazide
CID 9592454
N-[(1E)-(4-ethoxy-3-methoxyphenyl)methylene]-3,5-dimethyl-4H-1,2,4-triazol-4-amine
CID 9660131
3-N-[(Z)-[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-5-ethyl-1,2,4-triazole-3,4-diamine
CID 5729739
(E)-1-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-4-yl]methanimine
CID 139222762
(Z)-1-[3-(Benzyloxy)phenyl]-N-(3,5-dimethyl-4H-1,2,4-triazol-4-YL)methanimine
CID 6063523
N~1~-[(E)-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-1H-tetrazole-1,5-diamine
CID 6859497
3-N-[(Z)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-ethyl-1,2,4-triazole-3,4-diamine
CID 5729961
3-[(3,4-dichlorobenzyl)oxy]benzaldehyde (4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazone
CID 9586616
N-[(E)-{3-[(2,4-dichlorobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine
CID 5349908

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (CID 4019136) is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is COc1cc(C=Nn2c(C)nnc2C)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is DWXJCMLWRZEJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-12-23-24-13(2)25(12)22-10-14-4-7-18(19(8-14)26-3)27-11-15-5-6-16(20)9-17(15)21/h4-10H,11H2,1-3H3.
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 405.29 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 4019136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).