1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine

C17H14F2N4O — CID 46823979

IUPAC1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)cn1/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14F2N4O/c18-16(19)24-14-8-6-12(7-9-14)10-21-23-11-15(22-17(23)20)13-4-2-1-3-5-13/h1-11,16H,(H2,20,22)/b21-10+
InChIKeyUKKGEMZOBDCCOY-UFFVCSGVSA-N
MW328.32 g/mol
LogP3.62
Rot. Bonds5

About 1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine

1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine (PubChem CID 46823979) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine
PubChem CID46823979
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)cn1/N=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14F2N4O/c18-16(19)24-14-8-6-12(7-9-14)10-21-23-11-15(22-17(23)20)13-4-2-1-3-5-13/h1-11,16H,(H2,20,22)/b21-10+
InChIKeyUKKGEMZOBDCCOY-UFFVCSGVSA-N
XLogP3.62
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.62
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-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine?
The IUPAC name of 1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine (CID 46823979) is 1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine?
The canonical SMILES for 1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine is Nc1nc(-c2ccccc2)cn1/N=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine?
The InChIKey is UKKGEMZOBDCCOY-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-16(19)24-14-8-6-12(7-9-14)10-21-23-11-15(22-17(23)20)13-4-2-1-3-5-13/h1-11,16H,(H2,20,22)/b21-10+.
What are the key properties of 1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine?
1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine has a molecular weight of 328.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-phenylimidazol-2-amine is sourced from PubChem (CID 46823979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).