1,3-dibenzyl-3-deuterio-5-methylindol-2-one

C23H21NO — CID 10980376

IUPAC1,3-dibenzyl-3-deuterio-5-methylindol-2-one
SMILES[2H]C1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C23H21NO/c1-17-12-13-22-20(14-17)21(15-18-8-4-2-5-9-18)23(25)24(22)16-19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3/i21D
InChIKeyBKIWTEBPDSFFMA-KRLANHAZSA-N
MW328.43 g/mol
LogP4.87
Rot. Bonds4

About 1,3-dibenzyl-3-deuterio-5-methylindol-2-one

1,3-dibenzyl-3-deuterio-5-methylindol-2-one (PubChem CID 10980376) has the molecular formula C23H21NO and a molecular weight of 328.43 g/mol. Its IUPAC name is 1,3-dibenzyl-3-deuterio-5-methylindol-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-3-deuterio-5-methylindol-2-one
PubChem CID10980376
Molecular FormulaC23H21NO
Molecular Weight328.43 g/mol
Exact Mass328.17
IUPAC Name1,3-dibenzyl-3-deuterio-5-methylindol-2-one
SMILES[2H]C1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C23H21NO/c1-17-12-13-22-20(14-17)21(15-18-8-4-2-5-9-18)23(25)24(22)16-19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3/i21D
InChIKeyBKIWTEBPDSFFMA-KRLANHAZSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dibenzyl-3-deuterio-5-methylindol-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

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-3-deuterio-5-methylindol-2-one?
The IUPAC name of 1,3-dibenzyl-3-deuterio-5-methylindol-2-one (CID 10980376) is 1,3-dibenzyl-3-deuterio-5-methylindol-2-one.
What is the SMILES notation for 1,3-dibenzyl-3-deuterio-5-methylindol-2-one?
The canonical SMILES for 1,3-dibenzyl-3-deuterio-5-methylindol-2-one is [2H]C1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccc(C)cc21.
What is the InChIKey of 1,3-dibenzyl-3-deuterio-5-methylindol-2-one?
The InChIKey is BKIWTEBPDSFFMA-KRLANHAZSA-N. The full InChI is InChI=1S/C23H21NO/c1-17-12-13-22-20(14-17)21(15-18-8-4-2-5-9-18)23(25)24(22)16-19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3/i21D.
What are the key properties of 1,3-dibenzyl-3-deuterio-5-methylindol-2-one?
1,3-dibenzyl-3-deuterio-5-methylindol-2-one has a molecular weight of 328.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-3-deuterio-5-methylindol-2-one is sourced from PubChem (CID 10980376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).