1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine

C19H26N4O2 — CID 168629869

IUPAC1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESC=CCc1cc(C=Nn2cc(C)nc2N)cc(OCC)c1OC(C)C
InChIInChI=1S/C19H26N4O2/c1-6-8-16-9-15(11-21-23-12-14(5)22-19(23)20)10-17(24-7-2)18(16)25-13(3)4/h6,9-13H,1,7-8H2,2-5H3,(H2,20,22)
InChIKeySQGVWMODZYLSOW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.57
Rot. Bonds8

About 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629869) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629869
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESC=CCc1cc(C=Nn2cc(C)nc2N)cc(OCC)c1OC(C)C
InChIInChI=1S/C19H26N4O2/c1-6-8-16-9-15(11-21-23-12-14(5)22-19(23)20)10-17(24-7-2)18(16)25-13(3)4/h6,9-13H,1,7-8H2,2-5H3,(H2,20,22)
InChIKeySQGVWMODZYLSOW-UHFFFAOYSA-N
XLogP3.57
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-chloro-6-ethoxyphenoxy]propanoic acid
CID 168629945
1-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630518
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643
4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine
CID 168629924
1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630747
4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine
CID 168629899
2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,6-dichlorophenoxy]propanoic acid
CID 168629941
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630181
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidenehydrazine
CID 168530223

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168629869) is 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine is C=CCc1cc(C=Nn2cc(C)nc2N)cc(OCC)c1OC(C)C.
What is the InChIKey of 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is SQGVWMODZYLSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-6-8-16-9-15(11-21-23-12-14(5)22-19(23)20)10-17(24-7-2)18(16)25-13(3)4/h6,9-13H,1,7-8H2,2-5H3,(H2,20,22).
What are the key properties of 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 342.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).