3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C16H27N3OS — CID 83253376

IUPAC3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)s2)N(CC(C)(C)N(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-7-12-15(20)19(10-16(3,4)18(5)6)14(17-12)13-9-8-11(2)21-13/h8-9,12,14,17H,7,10H2,1-6H3
InChIKeyKNXVERHGOLYTDU-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.61
Rot. Bonds5

About 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one

3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83253376) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83253376
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)s2)N(CC(C)(C)N(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-7-12-15(20)19(10-16(3,4)18(5)6)14(17-12)13-9-8-11(2)21-13/h8-9,12,14,17H,7,10H2,1-6H3
InChIKeyKNXVERHGOLYTDU-UHFFFAOYSA-N
XLogP2.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83251342
5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257006
3-(cyclopentylmethyl)-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244248
5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
CID 106433236
5-ethyl-2-(5-methylthiophen-2-yl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
CID 83267701
5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244694
2-cyclopentyl-3-[2-(dimethylamino)-2-methylpropyl]-5-ethylimidazolidin-4-one
CID 83252179
3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83256875
3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253987
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264275
5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83246232
5-ethyl-2-(5-methylthiophen-2-yl)-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065521

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83253376) is 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is CCC1NC(c2ccc(C)s2)N(CC(C)(C)N(C)C)C1=O.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is KNXVERHGOLYTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-7-12-15(20)19(10-16(3,4)18(5)6)14(17-12)13-9-8-11(2)21-13/h8-9,12,14,17H,7,10H2,1-6H3.
What are the key properties of 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 309.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83253376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).