1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one

C25H23FN4O — CID 1037776

IUPAC1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one
SMILESO=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN4O/c26-19-10-12-21(13-11-19)29-16-14-28(15-17-29)18-30-23-9-5-4-8-22(23)24(25(30)31)27-20-6-2-1-3-7-20/h1-13H,14-18H2/b27-24+
InChIKeyIVBLMNULGYCEJC-SOYKGTTHSA-N
MW414.48 g/mol
LogP4.07
Rot. Bonds4

About 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one

1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one (PubChem CID 1037776) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one
PubChem CID1037776
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one
SMILESO=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN4O/c26-19-10-12-21(13-11-19)29-16-14-28(15-17-29)18-30-23-9-5-4-8-22(23)24(25(30)31)27-20-6-2-1-3-7-20/h1-13H,14-18H2/b27-24+
InChIKeyIVBLMNULGYCEJC-SOYKGTTHSA-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 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one?
The IUPAC name of 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one (CID 1037776) is 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one?
The canonical SMILES for 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one is O=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one?
The InChIKey is IVBLMNULGYCEJC-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-19-10-12-21(13-11-19)29-16-14-28(15-17-29)18-30-23-9-5-4-8-22(23)24(25(30)31)27-20-6-2-1-3-7-20/h1-13H,14-18H2/b27-24+.
What are the key properties of 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one?
1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-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 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyliminoindol-2-one is sourced from PubChem (CID 1037776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).