3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one

C25H23FN4O — CID 1249885

IUPAC3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
SMILESO=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H23FN4O/c26-19-7-6-8-20(17-19)27-24-22-11-4-5-12-23(22)30(25(24)31)18-28-13-15-29(16-14-28)21-9-2-1-3-10-21/h1-12,17H,13-16,18H2/b27-24-
InChIKeyAXJIVBDTOCJGRI-PNHLSOANSA-N
MW414.48 g/mol
LogP4.07
Rot. Bonds4

About 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one

3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one (PubChem CID 1249885) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
PubChem CID1249885
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
SMILESO=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H23FN4O/c26-19-7-6-8-20(17-19)27-24-22-11-4-5-12-23(22)30(25(24)31)18-28-13-15-29(16-14-28)21-9-2-1-3-10-21/h1-12,17H,13-16,18H2/b27-24-
InChIKeyAXJIVBDTOCJGRI-PNHLSOANSA-N
XLogP4.07
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

10-Benzyl-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 386674
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-indolin-2-one
CID 42626293
1-[5-(4-Phenylpiperazin-1-yl)pentyl]-1,3-dihydro-2H-indol-2-one
CID 42626361
3,10-Dibenzyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 44421628
3-Phenyl-10-(2-phenylethyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 56964461
2-(2-oxo-3-phenyliminoindol-1-yl)-N-phenylacetamide
CID 156013772
N-(2-methylphenyl)-2-(2-oxo-3-phenyliminoindol-1-yl)acetamide
CID 156018955
Indol-2(3H)-one, 1-diethylaminomethyl-3-(3-trifluoromethylphenylimino)-
CID 559521
2-[3-(4-Fluorophenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]-n-(2-methylphenyl)acetamide
CID 16062663
2,2-Dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-4-phenyl-2,5-dihydro-1H-imidazol-5-one
CID 91891041
(3Z)-1-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
CID 1043389
3-[(Dimethylamino)azamethylene]-1-[(4-phenylpiperazinyl)methyl]benzo[d]azolidi n-2-one
CID 17370151

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The IUPAC name of 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one (CID 1249885) is 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The canonical SMILES for 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one is O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The InChIKey is AXJIVBDTOCJGRI-PNHLSOANSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-19-7-6-8-20(17-19)27-24-22-11-4-5-12-23(22)30(25(24)31)18-28-13-15-29(16-14-28)21-9-2-1-3-10-21/h1-12,17H,13-16,18H2/b27-24-.
What are the key properties of 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one has a molecular weight of 414.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)imino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one is sourced from PubChem (CID 1249885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).