3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one

C25H20N4O — CID 57012933

IUPAC3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCn1ccnc1-c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C25H20N4O/c1-29-16-15-26-24(29)18-11-13-19(14-12-18)27-23(17-7-3-2-4-8-17)22-20-9-5-6-10-21(20)28-25(22)30/h2-16,22H,1H3,(H,28,30)/b27-23+
InChIKeyXVSYVPWLWYPPDE-SLEBQGDGSA-N
MW392.46 g/mol
LogP4.94
Rot. Bonds4

About 3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one

3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one (PubChem CID 57012933) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
PubChem CID57012933
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCn1ccnc1-c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C25H20N4O/c1-29-16-15-26-24(29)18-11-13-19(14-12-18)27-23(17-7-3-2-4-8-17)22-20-9-5-6-10-21(20)28-25(22)30/h2-16,22H,1H3,(H,28,30)/b27-23+
InChIKeyXVSYVPWLWYPPDE-SLEBQGDGSA-N
XLogP4.94
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
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-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one (CID 57012933) is 3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one is Cn1ccnc1-c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
The InChIKey is XVSYVPWLWYPPDE-SLEBQGDGSA-N. The full InChI is InChI=1S/C25H20N4O/c1-29-16-15-26-24(29)18-11-13-19(14-12-18)27-23(17-7-3-2-4-8-17)22-20-9-5-6-10-21(20)28-25(22)30/h2-16,22H,1H3,(H,28,30)/b27-23+.
What are the key properties of 3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one?
3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one has a molecular weight of 392.46 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 57012933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).