(Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one

C25H24F3N5O2 — CID 173286641

IUPAC(Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one
SMILESC=C(N=C(/C=C(\N)c1ccc(C(F)(F)F)cc1)C(C)=O)Nc1ccc(-n2cnc(C)c2)c(OC)c1
InChIInChI=1S/C25H24F3N5O2/c1-15-13-33(14-30-15)23-10-9-20(11-24(23)35-4)31-17(3)32-22(16(2)34)12-21(29)18-5-7-19(8-6-18)25(26,27)28/h5-14,31H,3,29H2,1-2,4H3/b21-12-,32-22?
InChIKeyQFBHNBODXYVZAK-OSMAELOXSA-N
MW483.49 g/mol
LogP5.12
Rot. Bonds8

About (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one

(Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one (PubChem CID 173286641) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one.

Molecular Properties

Compound Name(Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one
PubChem CID173286641
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name(Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one
SMILESC=C(N=C(/C=C(\N)c1ccc(C(F)(F)F)cc1)C(C)=O)Nc1ccc(-n2cnc(C)c2)c(OC)c1
InChIInChI=1S/C25H24F3N5O2/c1-15-13-33(14-30-15)23-10-9-20(11-24(23)35-4)31-17(3)32-22(16(2)34)12-21(29)18-5-7-19(8-6-18)25(26,27)28/h5-14,31H,3,29H2,1-2,4H3/b21-12-,32-22?
InChIKeyQFBHNBODXYVZAK-OSMAELOXSA-N
XLogP5.12
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-amino-N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenyl]but-2-enimidoyl chloride
CID 173286628
2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide
CID 72543944
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855696
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
ethyl 2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 25107424
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 153216978
1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855699
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
CID 46899010
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67808033

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one?
The IUPAC name of (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one (CID 173286641) is (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one.
What is the SMILES notation for (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one?
The canonical SMILES for (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one is C=C(N=C(/C=C(\N)c1ccc(C(F)(F)F)cc1)C(C)=O)Nc1ccc(-n2cnc(C)c2)c(OC)c1.
What is the InChIKey of (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one?
The InChIKey is QFBHNBODXYVZAK-OSMAELOXSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-15-13-33(14-30-15)23-10-9-20(11-24(23)35-4)31-17(3)32-22(16(2)34)12-21(29)18-5-7-19(8-6-18)25(26,27)28/h5-14,31H,3,29H2,1-2,4H3/b21-12-,32-22?.
What are the key properties of (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one?
(Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one has a molecular weight of 483.49 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one is sourced from PubChem (CID 173286641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).