1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one

C23H16BrClN2O2 — CID 118710088

IUPAC1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccc(Cl)cc2C1(O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H16BrClN2O2/c24-15-6-8-20-17(10-15)19(12-26-20)23(29)18-11-16(25)7-9-21(18)27(22(23)28)13-14-4-2-1-3-5-14/h1-12,26,29H,13H2
InChIKeyOBBYNVRPHFZROG-UHFFFAOYSA-N
MW467.75 g/mol
LogP5.37
Rot. Bonds3

About 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one

1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one (PubChem CID 118710088) has the molecular formula C23H16BrClN2O2 and a molecular weight of 467.75 g/mol. Its IUPAC name is 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
PubChem CID118710088
Molecular FormulaC23H16BrClN2O2
Molecular Weight467.75 g/mol
Exact Mass466.01
IUPAC Name1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccc(Cl)cc2C1(O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H16BrClN2O2/c24-15-6-8-20-17(10-15)19(12-26-20)23(29)18-11-16(25)7-9-21(18)27(22(23)28)13-14-4-2-1-3-5-14/h1-12,26,29H,13H2
InChIKeyOBBYNVRPHFZROG-UHFFFAOYSA-N
XLogP5.37
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.75
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one
CID 7275526
(3S)-5-bromo-1-[(2-bromophenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 41339183
(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 1289741
(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 41145231
1-benzyl-5-bromo-3-hydroxy-3-(hydroxymethyl)indol-2-one
CID 102334862
1-benzyl-5-bromo-3,3-difluoroindol-2-one
CID 102306574
1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
CID 164523817
5-bromo-3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
CID 3708416
5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 17077782
5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-(2-phenylethyl)indol-2-one
CID 2945553
(3R)-1-benzyl-5-bromo-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 1255841
(2R)-1'-benzyl-6'-bromo-6-chlorospiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 102222383

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one?
The IUPAC name of 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one (CID 118710088) is 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one.
What is the SMILES notation for 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one?
The canonical SMILES for 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one is O=C1N(Cc2ccccc2)c2ccc(Cl)cc2C1(O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one?
The InChIKey is OBBYNVRPHFZROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrClN2O2/c24-15-6-8-20-17(10-15)19(12-26-20)23(29)18-11-16(25)7-9-21(18)27(22(23)28)13-14-4-2-1-3-5-14/h1-12,26,29H,13H2.
What are the key properties of 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one?
1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one has a molecular weight of 467.75 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one is sourced from PubChem (CID 118710088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).