4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine

C11H17N3O — CID 123241223

IUPAC4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine
SMILES[H]/N=C(\C)CC(OC)=C(C)n1cnc(C)c1
InChIInChI=1S/C11H17N3O/c1-8(12)5-11(15-4)10(3)14-6-9(2)13-7-14/h6-7,12H,5H2,1-4H3/b11-10?,12-8+
InChIKeyUPDAMYISSAIFRC-CBYACJOPSA-N
MW207.28 g/mol
LogP2.46
Rot. Bonds4

About 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine

4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine (PubChem CID 123241223) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine.

Molecular Properties

Compound Name4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine
PubChem CID123241223
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine
SMILES[H]/N=C(\C)CC(OC)=C(C)n1cnc(C)c1
InChIInChI=1S/C11H17N3O/c1-8(12)5-11(15-4)10(3)14-6-9(2)13-7-14/h6-7,12H,5H2,1-4H3/b11-10?,12-8+
InChIKeyUPDAMYISSAIFRC-CBYACJOPSA-N
XLogP2.46
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine 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 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine?
The IUPAC name of 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine (CID 123241223) is 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine.
What is the SMILES notation for 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine?
The canonical SMILES for 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine is [H]/N=C(\C)CC(OC)=C(C)n1cnc(C)c1.
What is the InChIKey of 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine?
The InChIKey is UPDAMYISSAIFRC-CBYACJOPSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(12)5-11(15-4)10(3)14-6-9(2)13-7-14/h6-7,12H,5H2,1-4H3/b11-10?,12-8+.
What are the key properties of 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine?
4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine has a molecular weight of 207.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(4-methylimidazol-1-yl)hex-4-en-2-imine is sourced from PubChem (CID 123241223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).