(Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine

C13H15N3O — CID 18713757

IUPAC(Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine
SMILESCO/N=C(/c1ccccc1C)c1nccn1C
InChIInChI=1S/C13H15N3O/c1-10-6-4-5-7-11(10)12(15-17-3)13-14-8-9-16(13)2/h4-9H,1-3H3/b15-12-
InChIKeyDRZZYSPNIJOCTN-QINSGFPZSA-N
MW229.28 g/mol
LogP2.13
Rot. Bonds3

About (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine

(Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine (PubChem CID 18713757) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine
PubChem CID18713757
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine
SMILESCO/N=C(/c1ccccc1C)c1nccn1C
InChIInChI=1S/C13H15N3O/c1-10-6-4-5-7-11(10)12(15-17-3)13-14-8-9-16(13)2/h4-9H,1-3H3/b15-12-
InChIKeyDRZZYSPNIJOCTN-QINSGFPZSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine?
The IUPAC name of (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine (CID 18713757) is (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine.
What is the SMILES notation for (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine?
The canonical SMILES for (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine is CO/N=C(/c1ccccc1C)c1nccn1C.
What is the InChIKey of (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine?
The InChIKey is DRZZYSPNIJOCTN-QINSGFPZSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-6-4-5-7-11(10)12(15-17-3)13-14-8-9-16(13)2/h4-9H,1-3H3/b15-12-.
What are the key properties of (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine?
(Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine has a molecular weight of 229.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine is sourced from PubChem (CID 18713757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).