3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one

C16H26N2OS — CID 83256875

IUPAC3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCc1ccc(C2NC(C(C)C)C(=O)N2CC(C)(C)C)s1
InChIInChI=1S/C16H26N2OS/c1-10(2)13-15(19)18(9-16(4,5)6)14(17-13)12-8-7-11(3)20-12/h7-8,10,13-14,17H,9H2,1-6H3
InChIKeyFJSHKLRKJMQSJY-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.56
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one

3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83256875) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83256875
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCc1ccc(C2NC(C(C)C)C(=O)N2CC(C)(C)C)s1
InChIInChI=1S/C16H26N2OS/c1-10(2)13-15(19)18(9-16(4,5)6)14(17-13)12-8-7-11(3)20-12/h7-8,10,13-14,17H,9H2,1-6H3
InChIKeyFJSHKLRKJMQSJY-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83247562
3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83245582
3-(2,2-dimethylpropyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83256296
5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268604
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83253376
5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83260139
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245929
5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244694
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257
5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767656
5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257006

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one (CID 83256875) is 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one is Cc1ccc(C2NC(C(C)C)C(=O)N2CC(C)(C)C)s1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is FJSHKLRKJMQSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-10(2)13-15(19)18(9-16(4,5)6)14(17-13)12-8-7-11(3)20-12/h7-8,10,13-14,17H,9H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83256875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).