4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine

C17H18N4O — CID 168629924

IUPAC4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine
SMILESC#CCOc1ccc(C=Nn2cc(C)nc2N)cc1CC=C
InChIInChI=1S/C17H18N4O/c1-4-6-15-10-14(7-8-16(15)22-9-5-2)11-19-21-12-13(3)20-17(21)18/h2,4,7-8,10-12H,1,6,9H2,3H3,(H2,18,20)
InChIKeyFOCOCFNAOYKQTM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.40
Rot. Bonds6

About 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine

4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine (PubChem CID 168629924) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine
PubChem CID168629924
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine
SMILESC#CCOc1ccc(C=Nn2cc(C)nc2N)cc1CC=C
InChIInChI=1S/C17H18N4O/c1-4-6-15-10-14(7-8-16(15)22-9-5-2)11-19-21-12-13(3)20-17(21)18/h2,4,7-8,10-12H,1,6,9H2,3H3,(H2,18,20)
InChIKeyFOCOCFNAOYKQTM-UHFFFAOYSA-N
XLogP2.40
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[[3-[[bis(prop-2-enyl)amino]methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629415
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
1-[(3-ethoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629869
1-[[3-fluoro-4-(prop-2-enoxymethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629035
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629270
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631150
[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]thiourea
CID 168535276
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine (CID 168629924) is 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine is C#CCOc1ccc(C=Nn2cc(C)nc2N)cc1CC=C.
What is the InChIKey of 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is FOCOCFNAOYKQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-4-6-15-10-14(7-8-16(15)22-9-5-2)11-19-21-12-13(3)20-17(21)18/h2,4,7-8,10-12H,1,6,9H2,3H3,(H2,18,20).
What are the key properties of 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 294.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168629924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).