1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one

C12H18BrN3OS — CID 116978796

IUPAC1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
SMILESCC(C)(CCN)N1CC(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C12H18BrN3OS/c1-12(2,3-4-14)16-6-9(15-11(16)17)10-5-8(13)7-18-10/h5,7,9H,3-4,6,14H2,1-2H3,(H,15,17)
InChIKeyHWIOAQMJMRNMGJ-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one

1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one (PubChem CID 116978796) has the molecular formula C12H18BrN3OS and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
PubChem CID116978796
Molecular FormulaC12H18BrN3OS
Molecular Weight332.27 g/mol
Exact Mass331.04
IUPAC Name1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
SMILESCC(C)(CCN)N1CC(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C12H18BrN3OS/c1-12(2,3-4-14)16-6-9(15-11(16)17)10-5-8(13)7-18-10/h5,7,9H,3-4,6,14H2,1-2H3,(H,15,17)
InChIKeyHWIOAQMJMRNMGJ-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one (CID 116978796) is 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one is CC(C)(CCN)N1CC(c2cc(Br)cs2)NC1=O.
What is the InChIKey of 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
The InChIKey is HWIOAQMJMRNMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3OS/c1-12(2,3-4-14)16-6-9(15-11(16)17)10-5-8(13)7-18-10/h5,7,9H,3-4,6,14H2,1-2H3,(H,15,17).
What are the key properties of 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one has a molecular weight of 332.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116978796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).