1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone

C17H25N3O — CID 151331668

IUPAC1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone
SMILESCC(=O)N1CC(C)(C)c2ccc(N3CNC(C)(C)C3)cc21
InChIInChI=1S/C17H25N3O/c1-12(21)20-9-16(2,3)14-7-6-13(8-15(14)20)19-10-17(4,5)18-11-19/h6-8,18H,9-11H2,1-5H3
InChIKeyOIOYIRRFRBUEDD-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.48
Rot. Bonds1

About 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone

1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone (PubChem CID 151331668) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone
PubChem CID151331668
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone
SMILESCC(=O)N1CC(C)(C)c2ccc(N3CNC(C)(C)C3)cc21
InChIInChI=1S/C17H25N3O/c1-12(21)20-9-16(2,3)14-7-6-13(8-15(14)20)19-10-17(4,5)18-11-19/h6-8,18H,9-11H2,1-5H3
InChIKeyOIOYIRRFRBUEDD-UHFFFAOYSA-N
XLogP2.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone?
The IUPAC name of 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone (CID 151331668) is 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone?
The canonical SMILES for 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone is CC(=O)N1CC(C)(C)c2ccc(N3CNC(C)(C)C3)cc21.
What is the InChIKey of 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone?
The InChIKey is OIOYIRRFRBUEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(21)20-9-16(2,3)14-7-6-13(8-15(14)20)19-10-17(4,5)18-11-19/h6-8,18H,9-11H2,1-5H3.
What are the key properties of 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone?
1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone has a molecular weight of 287.41 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4-dimethylimidazolidin-1-yl)-3,3-dimethyl-2H-indol-1-yl]ethanone is sourced from PubChem (CID 151331668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).