3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one

C16H25N3O — CID 83249885

IUPAC3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NCC(=O)N2CC(C)N(C)C)c1
InChIInChI=1S/C16H25N3O/c1-11-6-7-12(2)14(8-11)16-17-9-15(20)19(16)10-13(3)18(4)5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKeyAVGSMUOMTONJGF-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.68
Rot. Bonds4

About 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one

3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one (PubChem CID 83249885) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one
PubChem CID83249885
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NCC(=O)N2CC(C)N(C)C)c1
InChIInChI=1S/C16H25N3O/c1-11-6-7-12(2)14(8-11)16-17-9-15(20)19(16)10-13(3)18(4)5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKeyAVGSMUOMTONJGF-UHFFFAOYSA-N
XLogP1.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one (CID 83249885) is 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one is Cc1ccc(C)c(C2NCC(=O)N2CC(C)N(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one?
The InChIKey is AVGSMUOMTONJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-6-7-12(2)14(8-11)16-17-9-15(20)19(16)10-13(3)18(4)5/h6-8,13,16-17H,9-10H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one?
3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one has a molecular weight of 275.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83249885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).