3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one

C16H25N3O — CID 83252005

IUPAC3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC(C)(C)N(C)C
InChIInChI=1S/C16H25N3O/c1-12-8-6-7-9-13(12)15-17-10-14(20)19(15)11-16(2,3)18(4)5/h6-9,15,17H,10-11H2,1-5H3
InChIKeyATHTUPSLTUITPK-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.77
Rot. Bonds4

About 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one

3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one (PubChem CID 83252005) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one
PubChem CID83252005
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC(C)(C)N(C)C
InChIInChI=1S/C16H25N3O/c1-12-8-6-7-9-13(12)15-17-10-14(20)19(15)11-16(2,3)18(4)5/h6-9,15,17H,10-11H2,1-5H3
InChIKeyATHTUPSLTUITPK-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one (CID 83252005) is 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one is Cc1ccccc1C1NCC(=O)N1CC(C)(C)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one?
The InChIKey is ATHTUPSLTUITPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-8-6-7-9-13(12)15-17-10-14(20)19(15)11-16(2,3)18(4)5/h6-9,15,17H,10-11H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one?
3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one has a molecular weight of 275.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83252005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).