1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine

C15H18FN5O — CID 168630786

IUPAC1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(F)ccc2N2CCOCC2)c(N)n1
InChIInChI=1S/C15H18FN5O/c1-11-10-21(15(17)19-11)18-9-12-8-13(16)2-3-14(12)20-4-6-22-7-5-20/h2-3,8-10H,4-7H2,1H3,(H2,17,19)
InChIKeyZAAJHYGRQLOYND-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.63
Rot. Bonds3

About 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630786) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168630786
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cc(F)ccc2N2CCOCC2)c(N)n1
InChIInChI=1S/C15H18FN5O/c1-11-10-21(15(17)19-11)18-9-12-8-13(16)2-3-14(12)20-4-6-22-7-5-20/h2-3,8-10H,4-7H2,1H3,(H2,17,19)
InChIKeyZAAJHYGRQLOYND-UHFFFAOYSA-N
XLogP1.63
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629407
1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629406
2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-4-(4-fluorophenyl)phenol
CID 168631348
1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629214
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629566
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-bromo-3-fluorophenol
CID 168631311
1-[(7-fluoroquinolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168629682
1-[(4-chloro-2,5-dimethylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629507
1-[(2-bromo-5-fluoro-4-nitrophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631357

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168630786) is 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cc(F)ccc2N2CCOCC2)c(N)n1.
What is the InChIKey of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is ZAAJHYGRQLOYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-11-10-21(15(17)19-11)18-9-12-8-13(16)2-3-14(12)20-4-6-22-7-5-20/h2-3,8-10H,4-7H2,1H3,(H2,17,19).
What are the key properties of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 303.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-morpholin-4-ylphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).