5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one

C17H18N2OS — CID 83244908

IUPAC5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one
SMILESO=C1C(Cc2ccccc2)NC(c2ccsc2)N1C1CC1
InChIInChI=1S/C17H18N2OS/c20-17-15(10-12-4-2-1-3-5-12)18-16(13-8-9-21-11-13)19(17)14-6-7-14/h1-5,8-9,11,14-16,18H,6-7,10H2
InChIKeyJOTXTMZHNUBSDO-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.95
Rot. Bonds4

About 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one

5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83244908) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83244908
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one
SMILESO=C1C(Cc2ccccc2)NC(c2ccsc2)N1C1CC1
InChIInChI=1S/C17H18N2OS/c20-17-15(10-12-4-2-1-3-5-12)18-16(13-8-9-21-11-13)19(17)14-6-7-14/h1-5,8-9,11,14-16,18H,6-7,10H2
InChIKeyJOTXTMZHNUBSDO-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-5-(2-methylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83242971
5-butyl-3-cyclopentyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242915
5-benzyl-3-cyclopropyl-2-ethylimidazolidin-4-one
CID 83242720
5-butan-2-yl-3-cyclobutyl-2-thiophen-3-ylimidazolidin-4-one
CID 83255478
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83243425
5-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83252600
5-butyl-3-(oxolan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83271415
3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83263879
3-cyclopropyl-2,5-diphenylimidazolidin-4-one
CID 83244660
5-benzyl-3-cyclobutyl-2-propylimidazolidin-4-one
CID 83255145
5-methyl-3-(1-methylpiperidin-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255677
5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one
CID 83238383

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one (CID 83244908) is 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one is O=C1C(Cc2ccccc2)NC(c2ccsc2)N1C1CC1.
What is the InChIKey of 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is JOTXTMZHNUBSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-17-15(10-12-4-2-1-3-5-12)18-16(13-8-9-21-11-13)19(17)14-6-7-14/h1-5,8-9,11,14-16,18H,6-7,10H2.
What are the key properties of 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one?
5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 298.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-cyclopropyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83244908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).