1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one

C11H14BrN3O2S — CID 9118627

IUPAC1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)Cc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3O2S/c1-14(6-8-2-3-9(12)18-8)7-10(16)15-5-4-13-11(15)17/h2-3H,4-7H2,1H3,(H,13,17)
InChIKeyYGSUSEKVHBOLLA-UHFFFAOYSA-N
MW332.22 g/mol
LogP1.49
Rot. Bonds4

About 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one

1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one (PubChem CID 9118627) has the molecular formula C11H14BrN3O2S and a molecular weight of 332.22 g/mol. Its IUPAC name is 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
PubChem CID9118627
Molecular FormulaC11H14BrN3O2S
Molecular Weight332.22 g/mol
Exact Mass331.00
IUPAC Name1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)Cc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3O2S/c1-14(6-8-2-3-9(12)18-8)7-10(16)15-5-4-13-11(15)17/h2-3H,4-7H2,1H3,(H,13,17)
InChIKeyYGSUSEKVHBOLLA-UHFFFAOYSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one (CID 9118627) is 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one is CN(CC(=O)N1CCNC1=O)Cc1ccc(Br)s1.
What is the InChIKey of 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
The InChIKey is YGSUSEKVHBOLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S/c1-14(6-8-2-3-9(12)18-8)7-10(16)15-5-4-13-11(15)17/h2-3H,4-7H2,1H3,(H,13,17).
What are the key properties of 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one?
1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one has a molecular weight of 332.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9118627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).