1,3-bis(1H-indol-3-yl)propan-2-one

C19H16N2O — CID 11483104

IUPAC1,3-bis(1H-indol-3-yl)propan-2-one
SMILESO=C(Cc1c[nH]c2ccccc12)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O/c22-15(9-13-11-20-18-7-3-1-5-16(13)18)10-14-12-21-19-8-4-2-6-17(14)19/h1-8,11-12,20-21H,9-10H2
InChIKeyOULRFLUQRMGBEN-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.00
Rot. Bonds4

About 1,3-bis(1H-indol-3-yl)propan-2-one

1,3-bis(1H-indol-3-yl)propan-2-one (PubChem CID 11483104) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1,3-bis(1H-indol-3-yl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(1H-indol-3-yl)propan-2-one
PubChem CID11483104
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1,3-bis(1H-indol-3-yl)propan-2-one
SMILESO=C(Cc1c[nH]c2ccccc12)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O/c22-15(9-13-11-20-18-7-3-1-5-16(13)18)10-14-12-21-19-8-4-2-6-17(14)19/h1-8,11-12,20-21H,9-10H2
InChIKeyOULRFLUQRMGBEN-UHFFFAOYSA-N
XLogP4.00
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1,3-bis(1H-indol-3-yl)propan-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-bis(1H-indol-3-yl)propan-2-one?
The IUPAC name of 1,3-bis(1H-indol-3-yl)propan-2-one (CID 11483104) is 1,3-bis(1H-indol-3-yl)propan-2-one.
What is the SMILES notation for 1,3-bis(1H-indol-3-yl)propan-2-one?
The canonical SMILES for 1,3-bis(1H-indol-3-yl)propan-2-one is O=C(Cc1c[nH]c2ccccc12)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1,3-bis(1H-indol-3-yl)propan-2-one?
The InChIKey is OULRFLUQRMGBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-15(9-13-11-20-18-7-3-1-5-16(13)18)10-14-12-21-19-8-4-2-6-17(14)19/h1-8,11-12,20-21H,9-10H2.
What are the key properties of 1,3-bis(1H-indol-3-yl)propan-2-one?
1,3-bis(1H-indol-3-yl)propan-2-one has a molecular weight of 288.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1H-indol-3-yl)propan-2-one is sourced from PubChem (CID 11483104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).