3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol

C22H17ClN2O — CID 135923457

IUPAC3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol
SMILESOc1c(/C=N/Cc2ccccc2)c2ccccc2n1-c1cccc(Cl)c1
InChIInChI=1S/C22H17ClN2O/c23-17-9-6-10-18(13-17)25-21-12-5-4-11-19(21)20(22(25)26)15-24-14-16-7-2-1-3-8-16/h1-13,15,26H,14H2/b24-15+
InChIKeyPYBGRCXMYWWVOI-BUVRLJJBSA-N
MW360.84 g/mol
LogP5.61
Rot. Bonds4

About 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol

3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol (PubChem CID 135923457) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol.

Molecular Properties

Compound Name3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol
PubChem CID135923457
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol
SMILESOc1c(/C=N/Cc2ccccc2)c2ccccc2n1-c1cccc(Cl)c1
InChIInChI=1S/C22H17ClN2O/c23-17-9-6-10-18(13-17)25-21-12-5-4-11-19(21)20(22(25)26)15-24-14-16-7-2-1-3-8-16/h1-13,15,26H,14H2/b24-15+
InChIKeyPYBGRCXMYWWVOI-BUVRLJJBSA-N
XLogP5.61
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.61
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 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol?
The IUPAC name of 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol (CID 135923457) is 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol.
What is the SMILES notation for 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol?
The canonical SMILES for 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol is Oc1c(/C=N/Cc2ccccc2)c2ccccc2n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol?
The InChIKey is PYBGRCXMYWWVOI-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-17-9-6-10-18(13-17)25-21-12-5-4-11-19(21)20(22(25)26)15-24-14-16-7-2-1-3-8-16/h1-13,15,26H,14H2/b24-15+.
What are the key properties of 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol?
3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol has a molecular weight of 360.84 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol is sourced from PubChem (CID 135923457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).