(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

C24H22N4O3 — CID 9398219

IUPAC(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cc(/C=N\n2cnnc2-c2ccccc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C24H22N4O3/c1-29-21-13-19(14-22(30-2)23(21)31-16-18-9-5-3-6-10-18)15-26-28-17-25-27-24(28)20-11-7-4-8-12-20/h3-15,17H,16H2,1-2H3/b26-15-
InChIKeyWMQVUENRXMTHAR-YSMPRRRNSA-N
MW414.47 g/mol
LogP4.42
Rot. Bonds8

About (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 9398219) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
PubChem CID9398219
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1cc(/C=N\n2cnnc2-c2ccccc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C24H22N4O3/c1-29-21-13-19(14-22(30-2)23(21)31-16-18-9-5-3-6-10-18)15-26-28-17-25-27-24(28)20-11-7-4-8-12-20/h3-15,17H,16H2,1-2H3/b26-15-
InChIKeyWMQVUENRXMTHAR-YSMPRRRNSA-N
XLogP4.42
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 135771186
(Z)-1-(3-ethoxy-4-methoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028006
(Z)-1-(4-methoxy-3-propoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028321
(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028029
(Z)-1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 21381459
3-[[3,5-dimethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408537
(E)-N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 11647302
(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)methanimine
CID 110521914
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 4283687
(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027661
3-[[3,5-dimethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408770
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 1285947

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (CID 9398219) is (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is COc1cc(/C=N\n2cnnc2-c2ccccc2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is WMQVUENRXMTHAR-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-29-21-13-19(14-22(30-2)23(21)31-16-18-9-5-3-6-10-18)15-26-28-17-25-27-24(28)20-11-7-4-8-12-20/h3-15,17H,16H2,1-2H3/b26-15-.
What are the key properties of (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 414.47 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 9398219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).