2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide

C24H23N3O — CID 10642850

IUPAC2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide
SMILESCc1c(CC(=O)NN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H23N3O/c1-17-21(15-24(28)26-25)22-14-20(19-10-6-3-7-11-19)12-13-23(22)27(17)16-18-8-4-2-5-9-18/h2-14H,15-16,25H2,1H3,(H,26,28)
InChIKeyGZTZUEWVDCSFGB-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.20
Rot. Bonds5

About 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide

2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide (PubChem CID 10642850) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide
PubChem CID10642850
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide
SMILESCc1c(CC(=O)NN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H23N3O/c1-17-21(15-24(28)26-25)22-14-20(19-10-6-3-7-11-19)12-13-23(22)27(17)16-18-8-4-2-5-9-18/h2-14H,15-16,25H2,1H3,(H,26,28)
InChIKeyGZTZUEWVDCSFGB-UHFFFAOYSA-N
XLogP4.20
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide?
The IUPAC name of 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide (CID 10642850) is 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide?
The canonical SMILES for 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide is Cc1c(CC(=O)NN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide?
The InChIKey is GZTZUEWVDCSFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17-21(15-24(28)26-25)22-14-20(19-10-6-3-7-11-19)12-13-23(22)27(17)16-18-8-4-2-5-9-18/h2-14H,15-16,25H2,1H3,(H,26,28).
What are the key properties of 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide?
2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide has a molecular weight of 369.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methyl-5-phenylindol-3-yl)acetohydrazide is sourced from PubChem (CID 10642850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).