1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C12H12F2N4O — CID 168628797

IUPAC1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1c(F)ccc(C=Nn2cc(C)nc2N)c1F
InChIInChI=1S/C12H12F2N4O/c1-7-6-18(12(15)17-7)16-5-8-3-4-9(13)11(19-2)10(8)14/h3-6H,1-2H3,(H2,15,17)
InChIKeyVJMABDRAHHPQBA-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.94
Rot. Bonds3

About 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628797) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628797
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1c(F)ccc(C=Nn2cc(C)nc2N)c1F
InChIInChI=1S/C12H12F2N4O/c1-7-6-18(12(15)17-7)16-5-8-3-4-9(13)11(19-2)10(8)14/h3-6H,1-2H3,(H2,15,17)
InChIKeyVJMABDRAHHPQBA-UHFFFAOYSA-N
XLogP1.94
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N~1~-[(E)-(4-methoxyphenyl)methylidene]-4-phenyl-1H-imidazole-1,2-diamine
CID 6858585
5-[2-[3-Fluoro-5-(methoxymethoxy)phenyl]ethynyl]-1-methylimidazole
CID 90075805
N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine
CID 155110984
N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine
CID 156533727
N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine
CID 162753465
1-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-methoxyphenyl)-4-methyl-2H-imidazo[1,5-b]pyridazine
CID 164579916
1-[(4-Methoxyphenyl)methylideneamino]-4-phenylimidazol-2-amine
CID 765292
1,2-Diamino-4-(4-methoxyphenyl)-imidazole
CID 12436292
1-[(4-Methoxyphenyl)methylene]-1h-imidazole-1,2-diamine
CID 129706929
1-[(Z)-2-(4-methoxyphenyl)ethenyl]-5-methylimidazole
CID 139262686
1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine
CID 46823979
5-[(2-Fluoro-5-methylphenoxy)methyl]-1-methylimidazole
CID 66142376

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628797) is 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is COc1c(F)ccc(C=Nn2cc(C)nc2N)c1F.
What is the InChIKey of 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is VJMABDRAHHPQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-7-6-18(12(15)17-7)16-5-8-3-4-9(13)11(19-2)10(8)14/h3-6H,1-2H3,(H2,15,17).
What are the key properties of 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 266.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).