4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one

C12H16BrN3OS — CID 116981723

IUPAC4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one
SMILESCN1C(=O)N(C2CCNC2)CC1c1cc(Br)cs1
InChIInChI=1S/C12H16BrN3OS/c1-15-10(11-4-8(13)7-18-11)6-16(12(15)17)9-2-3-14-5-9/h4,7,9-10,14H,2-3,5-6H2,1H3
InChIKeyZWDGRILCUBCHJY-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.28
Rot. Bonds2

About 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one

4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one (PubChem CID 116981723) has the molecular formula C12H16BrN3OS and a molecular weight of 330.25 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one
PubChem CID116981723
Molecular FormulaC12H16BrN3OS
Molecular Weight330.25 g/mol
Exact Mass329.02
IUPAC Name4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one
SMILESCN1C(=O)N(C2CCNC2)CC1c1cc(Br)cs1
InChIInChI=1S/C12H16BrN3OS/c1-15-10(11-4-8(13)7-18-11)6-16(12(15)17)9-2-3-14-5-9/h4,7,9-10,14H,2-3,5-6H2,1H3
InChIKeyZWDGRILCUBCHJY-UHFFFAOYSA-N
XLogP2.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one?
The IUPAC name of 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one (CID 116981723) is 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one is CN1C(=O)N(C2CCNC2)CC1c1cc(Br)cs1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one?
The InChIKey is ZWDGRILCUBCHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3OS/c1-15-10(11-4-8(13)7-18-11)6-16(12(15)17)9-2-3-14-5-9/h4,7,9-10,14H,2-3,5-6H2,1H3.
What are the key properties of 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one?
4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one has a molecular weight of 330.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-3-methyl-1-pyrrolidin-3-ylimidazolidin-2-one is sourced from PubChem (CID 116981723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).