N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine

C16H12Cl2N4O — CID 5142873

IUPACN-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
SMILESClc1ccc(CON=Cc2cn(-c3ccccc3)nn2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4O/c17-13-7-6-12(16(18)8-13)11-23-19-9-14-10-22(21-20-14)15-4-2-1-3-5-15/h1-10H,11H2
InChIKeyRSIOHGQGCUDDGI-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.12
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine

N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine (PubChem CID 5142873) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
PubChem CID5142873
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC NameN-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
SMILESClc1ccc(CON=Cc2cn(-c3ccccc3)nn2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4O/c17-13-7-6-12(16(18)8-13)11-23-19-9-14-10-22(21-20-14)15-4-2-1-3-5-15/h1-10H,11H2
InChIKeyRSIOHGQGCUDDGI-UHFFFAOYSA-N
XLogP4.12
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine
CID 127025143
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512625
(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol
CID 53244245
1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
CID 6859930
1-[(2,4-dichlorophenyl)methoxy]benzotriazole
CID 682205
N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide
CID 3838866
(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7728533
6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one
CID 134114772
4-[(E)-hex-1-enyl]-1-phenyltriazole
CID 102230523
3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 3839469
N'-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimidamide;hydrochloride
CID 131632842
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine
CID 141076402

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine?
The IUPAC name of N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine (CID 5142873) is N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine is Clc1ccc(CON=Cc2cn(-c3ccccc3)nn2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine?
The InChIKey is RSIOHGQGCUDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c17-13-7-6-12(16(18)8-13)11-23-19-9-14-10-22(21-20-14)15-4-2-1-3-5-15/h1-10H,11H2.
What are the key properties of N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine?
N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine has a molecular weight of 347.21 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine is sourced from PubChem (CID 5142873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).