(Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine

C7H11N3 — CID 167523344

IUPAC(Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine
SMILESC/C=N\Cn1cncc1C
InChIInChI=1S/C7H11N3/c1-3-8-5-10-6-9-4-7(10)2/h3-4,6H,5H2,1-2H3/b8-3-
InChIKeyIFFIPBUCSRJKSK-BAQGIRSFSA-N
MW137.19 g/mol
LogP1.24
Rot. Bonds2

About (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine

(Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine (PubChem CID 167523344) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine
PubChem CID167523344
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine
SMILESC/C=N\Cn1cncc1C
InChIInChI=1S/C7H11N3/c1-3-8-5-10-6-9-4-7(10)2/h3-4,6H,5H2,1-2H3/b8-3-
InChIKeyIFFIPBUCSRJKSK-BAQGIRSFSA-N
XLogP1.24
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine?
The IUPAC name of (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine (CID 167523344) is (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine.
What is the SMILES notation for (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine?
The canonical SMILES for (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine is C/C=N\Cn1cncc1C.
What is the InChIKey of (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine?
The InChIKey is IFFIPBUCSRJKSK-BAQGIRSFSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-8-5-10-6-9-4-7(10)2/h3-4,6H,5H2,1-2H3/b8-3-.
What are the key properties of (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine?
(Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine has a molecular weight of 137.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(5-methylimidazol-1-yl)methyl]ethanimine is sourced from PubChem (CID 167523344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).