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

C12H13FN4O — CID 168628593

IUPAC1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(F)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C12H13FN4O/c1-8-7-17(12(14)16-8)15-6-9-5-10(13)3-4-11(9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyLBENHSBTDSPKBU-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.80
Rot. Bonds3

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

1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628593) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628593
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(F)cc1C=Nn1cc(C)nc1N
InChIInChI=1S/C12H13FN4O/c1-8-7-17(12(14)16-8)15-6-9-5-10(13)3-4-11(9)18-2/h3-7H,1-2H3,(H2,14,16)
InChIKeyLBENHSBTDSPKBU-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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628593) is 1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is COc1ccc(F)cc1C=Nn1cc(C)nc1N.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is LBENHSBTDSPKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-8-7-17(12(14)16-8)15-6-9-5-10(13)3-4-11(9)18-2/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(5-fluoro-2-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-[(5-fluoro-2-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).