1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one

C20H21NO — CID 1294255

IUPAC1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H21NO/c1-20(2,3)19(22)17-14-21(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h4-12,14H,13H2,1-3H3
InChIKeyNZHASZHHLNTTAC-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.92
Rot. Bonds3

About 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one

1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 1294255) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one
PubChem CID1294255
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H21NO/c1-20(2,3)19(22)17-14-21(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h4-12,14H,13H2,1-3H3
InChIKeyNZHASZHHLNTTAC-UHFFFAOYSA-N
XLogP4.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-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 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one (CID 1294255) is 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is NZHASZHHLNTTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-20(2,3)19(22)17-14-21(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h4-12,14H,13H2,1-3H3.
What are the key properties of 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one?
1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 1294255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).