1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone

C23H19N3O2 — CID 177380005

IUPAC1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
SMILESCC(=O)n1c(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)c2ccccc21
InChIInChI=1S/C23H19N3O2/c1-16(27)26-21-10-6-5-9-20(21)23(28)22(26)15-24-17-11-13-19(14-12-17)25-18-7-3-2-4-8-18/h2-15,25,28H,1H3/b24-15+
InChIKeyOSQGFHDQUCVCEW-BUVRLJJBSA-N
MW369.42 g/mol
LogP5.50
Rot. Bonds4

About 1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone

1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone (PubChem CID 177380005) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
PubChem CID177380005
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
SMILESCC(=O)n1c(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)c2ccccc21
InChIInChI=1S/C23H19N3O2/c1-16(27)26-21-10-6-5-9-20(21)23(28)22(26)15-24-17-11-13-19(14-12-17)25-18-7-3-2-4-8-18/h2-15,25,28H,1H3/b24-15+
InChIKeyOSQGFHDQUCVCEW-BUVRLJJBSA-N
XLogP5.50
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
The IUPAC name of 1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone (CID 177380005) is 1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
The canonical SMILES for 1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone is CC(=O)n1c(/C=N/c2ccc(Nc3ccccc3)cc2)c(O)c2ccccc21.
What is the InChIKey of 1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
The InChIKey is OSQGFHDQUCVCEW-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16(27)26-21-10-6-5-9-20(21)23(28)22(26)15-24-17-11-13-19(14-12-17)25-18-7-3-2-4-8-18/h2-15,25,28H,1H3/b24-15+.
What are the key properties of 1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone has a molecular weight of 369.42 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone is sourced from PubChem (CID 177380005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).