1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one

C13H18BrN3OS — CID 94216420

IUPAC1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@@H]1CCCN(Cc2csc(Br)c2)C1
InChIInChI=1S/C13H18BrN3OS/c14-12-6-10(9-19-12)7-16-4-1-2-11(8-16)17-5-3-15-13(17)18/h6,9,11H,1-5,7-8H2,(H,15,18)/t11-/m1/s1
InChIKeyGUZMJOMBBKACPV-LLVKDONJSA-N
MW344.28 g/mol
LogP2.50
Rot. Bonds3

About 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one

1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 94216420) has the molecular formula C13H18BrN3OS and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID94216420
Molecular FormulaC13H18BrN3OS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@@H]1CCCN(Cc2csc(Br)c2)C1
InChIInChI=1S/C13H18BrN3OS/c14-12-6-10(9-19-12)7-16-4-1-2-11(8-16)17-5-3-15-13(17)18/h6,9,11H,1-5,7-8H2,(H,15,18)/t11-/m1/s1
InChIKeyGUZMJOMBBKACPV-LLVKDONJSA-N
XLogP2.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one (CID 94216420) is 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1[C@@H]1CCCN(Cc2csc(Br)c2)C1.
What is the InChIKey of 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is GUZMJOMBBKACPV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18BrN3OS/c14-12-6-10(9-19-12)7-16-4-1-2-11(8-16)17-5-3-15-13(17)18/h6,9,11H,1-5,7-8H2,(H,15,18)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 344.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 94216420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).