N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine

C10H13N3O — CID 90959919

IUPACN-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine
SMILESC=CC(=C(N=C)OC)n1cnc(C)c1
InChIInChI=1S/C10H13N3O/c1-5-9(10(11-3)14-4)13-6-8(2)12-7-13/h5-7H,1,3H2,2,4H3
InChIKeyMPTLMMXQCVJNFK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.85
Rot. Bonds4

About N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine

N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine (PubChem CID 90959919) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine
PubChem CID90959919
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine
SMILESC=CC(=C(N=C)OC)n1cnc(C)c1
InChIInChI=1S/C10H13N3O/c1-5-9(10(11-3)14-4)13-6-8(2)12-7-13/h5-7H,1,3H2,2,4H3
InChIKeyMPTLMMXQCVJNFK-UHFFFAOYSA-N
XLogP1.85
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
CID 71716729
(NE)-N-[(3-methyl-1-prop-2-enylimidazol-1-ium-4-yl)methylidene]hydroxylamine iodide
CID 44283875
1-Butyl-5-methyl-1H-imidazole
CID 426631
1H-Imidazole, 1-butyl-4-methyl
CID 529330
1H-Imidazole, 1-ethyl-4-methyl
CID 529331
1-Ethyl-5-methyl-1h-imidazole
CID 529333
1-(Methoxymethyl)-2,5-dimethyl-1H-imidazole
CID 13161797
1-tert-Butyl-5-methyl-1H-imidazole
CID 12361265
1-Ethenyl-5-methyl-1H-imidazole
CID 13813761
1,2,4-Trimethyl-1H-imidazole
CID 14717865

Frequently Asked Questions

What is the IUPAC name of N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine (CID 90959919) is N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine is C=CC(=C(N=C)OC)n1cnc(C)c1.
What is the InChIKey of N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine?
The InChIKey is MPTLMMXQCVJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-5-9(10(11-3)14-4)13-6-8(2)12-7-13/h5-7H,1,3H2,2,4H3.
What are the key properties of N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine?
N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine has a molecular weight of 191.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 90959919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).