1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one

C28H24BrNO — CID 135012644

IUPAC1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one
SMILESCc1c(-c2ccc(Br)cc2)c2c(n1Cc1ccccc1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C28H24BrNO/c1-19-27(22-12-14-24(29)15-13-22)28-25(30(19)18-20-8-4-2-5-9-20)16-23(17-26(28)31)21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3
InChIKeyCYMZEUCARYTOQE-UHFFFAOYSA-N
MW470.41 g/mol
LogP7.19
Rot. Bonds4

About 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one

1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one (PubChem CID 135012644) has the molecular formula C28H24BrNO and a molecular weight of 470.41 g/mol. Its IUPAC name is 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one
PubChem CID135012644
Molecular FormulaC28H24BrNO
Molecular Weight470.41 g/mol
Exact Mass469.10
IUPAC Name1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one
SMILESCc1c(-c2ccc(Br)cc2)c2c(n1Cc1ccccc1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C28H24BrNO/c1-19-27(22-12-14-24(29)15-13-22)28-25(30(19)18-20-8-4-2-5-9-20)16-23(17-26(28)31)21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3
InChIKeyCYMZEUCARYTOQE-UHFFFAOYSA-N
XLogP7.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.41
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one (CID 135012644) is 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one is Cc1c(-c2ccc(Br)cc2)c2c(n1Cc1ccccc1)CC(c1ccccc1)CC2=O.
What is the InChIKey of 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is CYMZEUCARYTOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrNO/c1-19-27(22-12-14-24(29)15-13-22)28-25(30(19)18-20-8-4-2-5-9-20)16-23(17-26(28)31)21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3.
What are the key properties of 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one?
1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 470.41 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 135012644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).