5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C17H26N2OS — CID 83268604

IUPAC5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(C)s2)N(CCC2CC2)C1=O
InChIInChI=1S/C17H26N2OS/c1-4-11(2)15-17(20)19(10-9-13-6-7-13)16(18-15)14-8-5-12(3)21-14/h5,8,11,13,15-16,18H,4,6-7,9-10H2,1-3H3
InChIKeyHMVIYZANJUOSTA-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.70
Rot. Bonds6

About 5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83268604) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83268604
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2ccc(C)s2)N(CCC2CC2)C1=O
InChIInChI=1S/C17H26N2OS/c1-4-11(2)15-17(20)19(10-9-13-6-7-13)16(18-15)14-8-5-12(3)21-14/h5,8,11,13,15-16,18H,4,6-7,9-10H2,1-3H3
InChIKeyHMVIYZANJUOSTA-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
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
3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83247562
3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83256875
3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83262823
3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83245582
5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83250979
5-ethyl-3-(4-methylpentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257006
5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 104767703
5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83246232
3-(cyclopentylmethyl)-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244248

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83268604) is 5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is CCC(C)C1NC(c2ccc(C)s2)N(CCC2CC2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is HMVIYZANJUOSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-11(2)15-17(20)19(10-9-13-6-7-13)16(18-15)14-8-5-12(3)21-14/h5,8,11,13,15-16,18H,4,6-7,9-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
5-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 306.48 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-butan-2-yl-3-(2-cyclopropylethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83268604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).