1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one

C10H14BrN3OS — CID 116981193

IUPAC1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCN)CC1c1ccc(Br)s1
InChIInChI=1S/C10H14BrN3OS/c1-13-7(8-2-3-9(11)16-8)6-14(5-4-12)10(13)15/h2-3,7H,4-6,12H2,1H3
InChIKeyLOVOXFGZOPVQMD-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.88
Rot. Bonds3

About 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one

1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one (PubChem CID 116981193) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one
PubChem CID116981193
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCN)CC1c1ccc(Br)s1
InChIInChI=1S/C10H14BrN3OS/c1-13-7(8-2-3-9(11)16-8)6-14(5-4-12)10(13)15/h2-3,7H,4-6,12H2,1H3
InChIKeyLOVOXFGZOPVQMD-UHFFFAOYSA-N
XLogP1.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one (CID 116981193) is 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one is CN1C(=O)N(CCN)CC1c1ccc(Br)s1.
What is the InChIKey of 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one?
The InChIKey is LOVOXFGZOPVQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c1-13-7(8-2-3-9(11)16-8)6-14(5-4-12)10(13)15/h2-3,7H,4-6,12H2,1H3.
What are the key properties of 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one?
1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one has a molecular weight of 304.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 116981193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).