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

C12H12F2N4O — CID 168628807

IUPAC1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(C=Nn2cc(C)nc2N)c(F)c1F
InChIInChI=1S/C12H12F2N4O/c1-7-6-18(12(15)17-7)16-5-8-3-4-9(19-2)11(14)10(8)13/h3-6H,1-2H3,(H2,15,17)
InChIKeyBMPYWGSYNFNQTG-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.94
Rot. Bonds3

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

1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628807) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628807
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCOc1ccc(C=Nn2cc(C)nc2N)c(F)c1F
InChIInChI=1S/C12H12F2N4O/c1-7-6-18(12(15)17-7)16-5-8-3-4-9(19-2)11(14)10(8)13/h3-6H,1-2H3,(H2,15,17)
InChIKeyBMPYWGSYNFNQTG-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628807) is 1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is COc1ccc(C=Nn2cc(C)nc2N)c(F)c1F.
What is the InChIKey of 1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is BMPYWGSYNFNQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-7-6-18(12(15)17-7)16-5-8-3-4-9(19-2)11(14)10(8)13/h3-6H,1-2H3,(H2,15,17).
What are the key properties of 1-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2,3-difluoro-4-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-[(2,3-difluoro-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).