1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol

C24H20Cl2N2O — CID 3075124

IUPAC1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol
SMILESCC(Cc1ccccc1)/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C24H20Cl2N2O/c1-16(14-17-8-3-2-4-9-17)27-15-19-18-10-5-6-13-22(18)28(24(19)29)23-20(25)11-7-12-21(23)26/h2-13,15-16,29H,14H2,1H3/b27-15+
InChIKeyJKBFNVJFDXEBNJ-JFLMPSFJSA-N
MW423.34 g/mol
LogP6.69
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol

1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol (PubChem CID 3075124) has the molecular formula C24H20Cl2N2O and a molecular weight of 423.34 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol
PubChem CID3075124
Molecular FormulaC24H20Cl2N2O
Molecular Weight423.34 g/mol
Exact Mass422.10
IUPAC Name1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol
SMILESCC(Cc1ccccc1)/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C24H20Cl2N2O/c1-16(14-17-8-3-2-4-9-17)27-15-19-18-10-5-6-13-22(18)28(24(19)29)23-20(25)11-7-12-21(23)26/h2-13,15-16,29H,14H2,1H3/b27-15+
InChIKeyJKBFNVJFDXEBNJ-JFLMPSFJSA-N
XLogP6.69
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol (CID 3075124) is 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol is CC(Cc1ccccc1)/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol?
The InChIKey is JKBFNVJFDXEBNJ-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H20Cl2N2O/c1-16(14-17-8-3-2-4-9-17)27-15-19-18-10-5-6-13-22(18)28(24(19)29)23-20(25)11-7-12-21(23)26/h2-13,15-16,29H,14H2,1H3/b27-15+.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol?
1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol has a molecular weight of 423.34 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol is sourced from PubChem (CID 3075124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).