5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C16H26N2OS — CID 83257006

IUPAC5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)s2)N(CCCC(C)C)C1=O
InChIInChI=1S/C16H26N2OS/c1-5-13-16(19)18(10-6-7-11(2)3)15(17-13)14-9-8-12(4)20-14/h8-9,11,13,15,17H,5-7,10H2,1-4H3
InChIKeyNFVKJYHVYMHLSQ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.70
Rot. Bonds6

About 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83257006) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83257006
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)s2)N(CCCC(C)C)C1=O
InChIInChI=1S/C16H26N2OS/c1-5-13-16(19)18(10-6-7-11(2)3)15(17-13)14-9-8-12(4)20-14/h8-9,11,13,15,17H,5-7,10H2,1-4H3
InChIKeyNFVKJYHVYMHLSQ-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83246232
5-ethyl-3-(4-methylpentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83255454
3-[2-(dimethylamino)ethyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83251342
5-ethyl-2-(5-methylthiophen-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
CID 106433236
3-[2-(dimethylamino)-2-methylpropyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83253376
3-(cyclopentylmethyl)-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244248
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
5-ethyl-2-(5-methylthiophen-2-yl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
CID 83267701
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264275
3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83245582
2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
CID 107819252
5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244694

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83257006) is 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is CCC1NC(c2ccc(C)s2)N(CCCC(C)C)C1=O.
What is the InChIKey of 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is NFVKJYHVYMHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-13-16(19)18(10-6-7-11(2)3)15(17-13)14-9-8-12(4)20-14/h8-9,11,13,15,17H,5-7,10H2,1-4H3.
What are the key properties of 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83257006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).