1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine

C13H15N3O3 — CID 135581381

IUPAC1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/N=C/c2ncc[nH]2)cc(OC)c1OC
InChIInChI=1S/C13H15N3O3/c1-17-10-6-9(7-11(18-2)13(10)19-3)16-8-12-14-4-5-15-12/h4-8H,1-3H3,(H,14,15)/b16-8+
InChIKeyKUEOMCSSJLCMGG-LZYBPNLTSA-N
MW261.28 g/mol
LogP2.19
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine

1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 135581381) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID135581381
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/N=C/c2ncc[nH]2)cc(OC)c1OC
InChIInChI=1S/C13H15N3O3/c1-17-10-6-9(7-11(18-2)13(10)19-3)16-8-12-14-4-5-15-12/h4-8H,1-3H3,(H,14,15)/b16-8+
InChIKeyKUEOMCSSJLCMGG-LZYBPNLTSA-N
XLogP2.19
TPSA68.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine (CID 135581381) is 1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/N=C/c2ncc[nH]2)cc(OC)c1OC.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is KUEOMCSSJLCMGG-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-17-10-6-9(7-11(18-2)13(10)19-3)16-8-12-14-4-5-15-12/h4-8H,1-3H3,(H,14,15)/b16-8+.
What are the key properties of 1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine?
1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 261.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 135581381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).