(4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one

C7H7BrN2OS — CID 131128261

IUPAC(4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cc(Br)cs2)N1
InChIInChI=1S/C7H7BrN2OS/c8-4-1-6(12-3-4)5-2-9-7(11)10-5/h1,3,5H,2H2,(H2,9,10,11)/t5-/m1/s1
InChIKeyYHQKZSKVDDORRA-RXMQYKEDSA-N
MW247.12 g/mol
LogP1.86
Rot. Bonds1

About (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one

(4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one (PubChem CID 131128261) has the molecular formula C7H7BrN2OS and a molecular weight of 247.12 g/mol. Its IUPAC name is (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
PubChem CID131128261
Molecular FormulaC7H7BrN2OS
Molecular Weight247.12 g/mol
Exact Mass245.95
IUPAC Name(4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cc(Br)cs2)N1
InChIInChI=1S/C7H7BrN2OS/c8-4-1-6(12-3-4)5-2-9-7(11)10-5/h1,3,5H,2H2,(H2,9,10,11)/t5-/m1/s1
InChIKeyYHQKZSKVDDORRA-RXMQYKEDSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
The IUPAC name of (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one (CID 131128261) is (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
The canonical SMILES for (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one is O=C1NC[C@H](c2cc(Br)cs2)N1.
What is the InChIKey of (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
The InChIKey is YHQKZSKVDDORRA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H7BrN2OS/c8-4-1-6(12-3-4)5-2-9-7(11)10-5/h1,3,5H,2H2,(H2,9,10,11)/t5-/m1/s1.
What are the key properties of (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
(4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one has a molecular weight of 247.12 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromothiophen-2-yl)imidazolidin-2-one is sourced from PubChem (CID 131128261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).