(Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine

C11H16N4O — CID 123592458

IUPAC(Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine
SMILES[H]/N=C(\C)C/C(OC)=C(\N=C)n1cnc(C)c1
InChIInChI=1S/C11H16N4O/c1-8(12)5-10(16-4)11(13-3)15-6-9(2)14-7-15/h6-7,12H,3,5H2,1-2,4H3/b11-10-,12-8+
InChIKeyQJPRFXPBQDMTKS-WROCRQLKSA-N
MW220.28 g/mol
LogP2.09
Rot. Bonds5

About (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine

(Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine (PubChem CID 123592458) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine
PubChem CID123592458
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine
SMILES[H]/N=C(\C)C/C(OC)=C(\N=C)n1cnc(C)c1
InChIInChI=1S/C11H16N4O/c1-8(12)5-10(16-4)11(13-3)15-6-9(2)14-7-15/h6-7,12H,3,5H2,1-2,4H3/b11-10-,12-8+
InChIKeyQJPRFXPBQDMTKS-WROCRQLKSA-N
XLogP2.09
TPSA63.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine?
The IUPAC name of (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine (CID 123592458) is (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine.
What is the SMILES notation for (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine?
The canonical SMILES for (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine is [H]/N=C(\C)C/C(OC)=C(\N=C)n1cnc(C)c1.
What is the InChIKey of (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine?
The InChIKey is QJPRFXPBQDMTKS-WROCRQLKSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(12)5-10(16-4)11(13-3)15-6-9(2)14-7-15/h6-7,12H,3,5H2,1-2,4H3/b11-10-,12-8+.
What are the key properties of (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine?
(Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine has a molecular weight of 220.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-5-N-methylidene-5-(4-methylimidazol-1-yl)pent-4-ene-2,5-diimine is sourced from PubChem (CID 123592458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).