3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one

C16H25N3O — CID 83251685

IUPAC3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one
SMILESCC(C)c1ccc(C2NCC(=O)N2CCN(C)C)cc1
InChIInChI=1S/C16H25N3O/c1-12(2)13-5-7-14(8-6-13)16-17-11-15(20)19(16)10-9-18(3)4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyKSUFYSSRDQXRJK-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.80
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one

3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one (PubChem CID 83251685) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one
PubChem CID83251685
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one
SMILESCC(C)c1ccc(C2NCC(=O)N2CCN(C)C)cc1
InChIInChI=1S/C16H25N3O/c1-12(2)13-5-7-14(8-6-13)16-17-11-15(20)19(16)10-9-18(3)4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyKSUFYSSRDQXRJK-UHFFFAOYSA-N
XLogP1.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83262703
3-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 115282239
2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248898
3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83248240
3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83243420
3-(2-methoxy-2-methylpropyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 114983375
3-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-fluorophenyl)imidazolidin-4-one
CID 83254925
3-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83251335
3-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83250663
2-(4-chlorophenyl)-3-[3-(dimethylamino)-2,2-dimethylpropyl]imidazolidin-4-one
CID 83237127
2-(4-ethoxyphenyl)-3-(3-methylbutyl)imidazolidin-4-one
CID 83236919
3-[2-(dimethylamino)ethyl]-2-ethylimidazolidin-4-one
CID 83250414

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one (CID 83251685) is 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one is CC(C)c1ccc(C2NCC(=O)N2CCN(C)C)cc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
The InChIKey is KSUFYSSRDQXRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)13-5-7-14(8-6-13)16-17-11-15(20)19(16)10-9-18(3)4/h5-8,12,16-17H,9-11H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one has a molecular weight of 275.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83251685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).