1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine

C13H15N3O — CID 90461736

IUPAC1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/N=C/c1c(C)ncn1C
InChIInChI=1S/C13H15N3O/c1-10-12(16(2)9-15-10)8-14-11-6-4-5-7-13(11)17-3/h4-9H,1-3H3/b14-8+
InChIKeyXLSMZYQNRIDNJQ-RIYZIHGNSA-N
MW229.28 g/mol
LogP2.49
Rot. Bonds3

About 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine

1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine (PubChem CID 90461736) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine
PubChem CID90461736
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/N=C/c1c(C)ncn1C
InChIInChI=1S/C13H15N3O/c1-10-12(16(2)9-15-10)8-14-11-6-4-5-7-13(11)17-3/h4-9H,1-3H3/b14-8+
InChIKeyXLSMZYQNRIDNJQ-RIYZIHGNSA-N
XLogP2.49
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine?
The IUPAC name of 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine (CID 90461736) is 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine?
The canonical SMILES for 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine is COc1ccccc1/N=C/c1c(C)ncn1C.
What is the InChIKey of 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine?
The InChIKey is XLSMZYQNRIDNJQ-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-12(16(2)9-15-10)8-14-11-6-4-5-7-13(11)17-3/h4-9H,1-3H3/b14-8+.
What are the key properties of 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine?
1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine has a molecular weight of 229.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 90461736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).