1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

C17H15FN4O — CID 168628630

IUPAC1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(Oc3ccc(F)cc3)cc2)c(N)n1
InChIInChI=1S/C17H15FN4O/c1-12-11-22(17(19)21-12)20-10-13-2-6-15(7-3-13)23-16-8-4-14(18)5-9-16/h2-11H,1H3,(H2,19,21)
InChIKeyWAWJNYNOAVPLAN-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.59
Rot. Bonds4

About 1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628630) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628630
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(Oc3ccc(F)cc3)cc2)c(N)n1
InChIInChI=1S/C17H15FN4O/c1-12-11-22(17(19)21-12)20-10-13-2-6-15(7-3-13)23-16-8-4-14(18)5-9-16/h2-11H,1H3,(H2,19,21)
InChIKeyWAWJNYNOAVPLAN-UHFFFAOYSA-N
XLogP3.59
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.59
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-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168628630) is 1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(Oc3ccc(F)cc3)cc2)c(N)n1.
What is the InChIKey of 1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is WAWJNYNOAVPLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-12-11-22(17(19)21-12)20-10-13-2-6-15(7-3-13)23-16-8-4-14(18)5-9-16/h2-11H,1H3,(H2,19,21).
What are the key properties of 1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 310.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).