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

C12H13FN4O — CID 168628684

IUPAC1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(F)c(C=Nn2cc(C)nc2N)c1
InChIInChI=1S/C12H13FN4O/c1-8-7-17(12(14)16-8)15-6-9-5-10(18-2)3-4-11(9)13/h3-7H,1-2H3,(H2,14,16)
InChIKeyAGOXIYYGRLGJQJ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.80
Rot. Bonds3

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

1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628684) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628684
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(F)c(C=Nn2cc(C)nc2N)c1
InChIInChI=1S/C12H13FN4O/c1-8-7-17(12(14)16-8)15-6-9-5-10(18-2)3-4-11(9)13/h3-7H,1-2H3,(H2,14,16)
InChIKeyAGOXIYYGRLGJQJ-UHFFFAOYSA-N
XLogP1.80
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.80
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

CID 6858585
CID 6858585
CID 6858586
CID 6858586
CID 56952443
CID 56952443
CID 58951942
CID 58951942
CID 71025406
CID 71025406
CID 90075805
CID 90075805
CID 155110984
CID 155110984
CID 156533727
CID 156533727
CID 162753465
CID 162753465
CID 164579916
CID 164579916
CID 167001211
CID 167001211
CID 765292
CID 765292

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628684) is 1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is COc1ccc(F)c(C=Nn2cc(C)nc2N)c1.
What is the InChIKey of 1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is AGOXIYYGRLGJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-8-7-17(12(14)16-8)15-6-9-5-10(18-2)3-4-11(9)13/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 248.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).