1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone

C24H20N2O2 — CID 177380002

IUPAC1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
SMILESCC(=O)n1c(/C=N/c2cccc(Cc3ccccc3)c2)c(O)c2ccccc21
InChIInChI=1S/C24H20N2O2/c1-17(27)26-22-13-6-5-12-21(22)24(28)23(26)16-25-20-11-7-10-19(15-20)14-18-8-3-2-4-9-18/h2-13,15-16,28H,14H2,1H3/b25-16+
InChIKeyDXYLFEQSCQPIHG-PCLIKHOPSA-N
MW368.44 g/mol
LogP5.35
Rot. Bonds4

About 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone

1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone (PubChem CID 177380002) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
PubChem CID177380002
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
SMILESCC(=O)n1c(/C=N/c2cccc(Cc3ccccc3)c2)c(O)c2ccccc21
InChIInChI=1S/C24H20N2O2/c1-17(27)26-22-13-6-5-12-21(22)24(28)23(26)16-25-20-11-7-10-19(15-20)14-18-8-3-2-4-9-18/h2-13,15-16,28H,14H2,1H3/b25-16+
InChIKeyDXYLFEQSCQPIHG-PCLIKHOPSA-N
XLogP5.35
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.35
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 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
The IUPAC name of 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone (CID 177380002) is 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
The canonical SMILES for 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone is CC(=O)n1c(/C=N/c2cccc(Cc3ccccc3)c2)c(O)c2ccccc21.
What is the InChIKey of 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
The InChIKey is DXYLFEQSCQPIHG-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17(27)26-22-13-6-5-12-21(22)24(28)23(26)16-25-20-11-7-10-19(15-20)14-18-8-3-2-4-9-18/h2-13,15-16,28H,14H2,1H3/b25-16+.
What are the key properties of 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone has a molecular weight of 368.44 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-benzylphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone is sourced from PubChem (CID 177380002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).