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

C25H24N4O — CID 1254994

IUPAC3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
SMILESO=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H24N4O/c30-25-24(26-20-9-3-1-4-10-20)22-13-7-8-14-23(22)29(25)19-27-15-17-28(18-16-27)21-11-5-2-6-12-21/h1-14H,15-19H2/b26-24+
InChIKeyCXRREZDMSVJLFB-SHHOIMCASA-N
MW396.49 g/mol
LogP3.93
Rot. Bonds4

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

3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one (PubChem CID 1254994) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one.

Molecular Properties

Compound Name3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
PubChem CID1254994
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
SMILESO=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H24N4O/c30-25-24(26-20-9-3-1-4-10-20)22-13-7-8-14-23(22)29(25)19-27-15-17-28(18-16-27)21-11-5-2-6-12-21/h1-14H,15-19H2/b26-24+
InChIKeyCXRREZDMSVJLFB-SHHOIMCASA-N
XLogP3.93
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The IUPAC name of 3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one (CID 1254994) is 3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one.
What is the SMILES notation for 3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The canonical SMILES for 3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one is O=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
The InChIKey is CXRREZDMSVJLFB-SHHOIMCASA-N. The full InChI is InChI=1S/C25H24N4O/c30-25-24(26-20-9-3-1-4-10-20)22-13-7-8-14-23(22)29(25)19-27-15-17-28(18-16-27)21-11-5-2-6-12-21/h1-14H,15-19H2/b26-24+.
What are the key properties of 3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one?
3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one has a molecular weight of 396.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one is sourced from PubChem (CID 1254994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).