(3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one

C25H20ClNO — CID 156633025

IUPAC(3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one
SMILESC[C@]1(Cc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)CC(=O)c2ccccc21
InChIInChI=1S/C25H20ClNO/c1-25(15-23(28)18-9-5-6-10-21(18)25)14-20-19-13-17(26)11-12-22(19)27-24(20)16-7-3-2-4-8-16/h2-13,27H,14-15H2,1H3/t25-/m0/s1
InChIKeySHTLIMFLGXDQIR-VWLOTQADSA-N
MW385.89 g/mol
LogP6.58
Rot. Bonds3

About (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one

(3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one (PubChem CID 156633025) has the molecular formula C25H20ClNO and a molecular weight of 385.89 g/mol. Its IUPAC name is (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one.

Molecular Properties

Compound Name(3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one
PubChem CID156633025
Molecular FormulaC25H20ClNO
Molecular Weight385.89 g/mol
Exact Mass385.12
IUPAC Name(3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one
SMILESC[C@]1(Cc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)CC(=O)c2ccccc21
InChIInChI=1S/C25H20ClNO/c1-25(15-23(28)18-9-5-6-10-21(18)25)14-20-19-13-17(26)11-12-22(19)27-24(20)16-7-3-2-4-8-16/h2-13,27H,14-15H2,1H3/t25-/m0/s1
InChIKeySHTLIMFLGXDQIR-VWLOTQADSA-N
XLogP6.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.89
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-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 (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one?
The IUPAC name of (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one (CID 156633025) is (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one.
What is the SMILES notation for (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one?
The canonical SMILES for (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one is C[C@]1(Cc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)CC(=O)c2ccccc21.
What is the InChIKey of (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one?
The InChIKey is SHTLIMFLGXDQIR-VWLOTQADSA-N. The full InChI is InChI=1S/C25H20ClNO/c1-25(15-23(28)18-9-5-6-10-21(18)25)14-20-19-13-17(26)11-12-22(19)27-24(20)16-7-3-2-4-8-16/h2-13,27H,14-15H2,1H3/t25-/m0/s1.
What are the key properties of (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one?
(3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one has a molecular weight of 385.89 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-chloro-2-phenyl-1H-indol-3-yl)methyl]-3-methyl-2H-inden-1-one is sourced from PubChem (CID 156633025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).