3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol

C22H19N3O — CID 135432755

IUPAC3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H19N3O/c1-24-21-15-9-8-14-19(21)20(22(24)26)16-23-25(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,26H,1H3/b23-16+
InChIKeyIHXMWXSNKBVCMZ-XQNSMLJCSA-N
MW341.41 g/mol
LogP5.06
Rot. Bonds4

About 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol

3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol (PubChem CID 135432755) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol.

Molecular Properties

Compound Name3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol
PubChem CID135432755
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H19N3O/c1-24-21-15-9-8-14-19(21)20(22(24)26)16-23-25(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,26H,1H3/b23-16+
InChIKeyIHXMWXSNKBVCMZ-XQNSMLJCSA-N
XLogP5.06
TPSA40.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol?
The IUPAC name of 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol (CID 135432755) is 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol.
What is the SMILES notation for 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol?
The canonical SMILES for 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol is Cn1c(O)c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol?
The InChIKey is IHXMWXSNKBVCMZ-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H19N3O/c1-24-21-15-9-8-14-19(21)20(22(24)26)16-23-25(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,26H,1H3/b23-16+.
What are the key properties of 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol?
3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol has a molecular weight of 341.41 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(diphenylhydrazinylidene)methyl]-1-methylindol-2-ol is sourced from PubChem (CID 135432755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).