1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one

C11H16BrN3OS — CID 116981451

IUPAC1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCCN)CC1c1cc(Br)cs1
InChIInChI=1S/C11H16BrN3OS/c1-14-9(10-5-8(12)7-17-10)6-15(11(14)16)4-2-3-13/h5,7,9H,2-4,6,13H2,1H3
InChIKeyHJIYRYLZHCXWQU-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.27
Rot. Bonds4

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

1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one (PubChem CID 116981451) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one
PubChem CID116981451
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCCN)CC1c1cc(Br)cs1
InChIInChI=1S/C11H16BrN3OS/c1-14-9(10-5-8(12)7-17-10)6-15(11(14)16)4-2-3-13/h5,7,9H,2-4,6,13H2,1H3
InChIKeyHJIYRYLZHCXWQU-UHFFFAOYSA-N
XLogP2.27
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one (CID 116981451) is 1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one is CN1C(=O)N(CCCN)CC1c1cc(Br)cs1.
What is the InChIKey of 1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one?
The InChIKey is HJIYRYLZHCXWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-14-9(10-5-8(12)7-17-10)6-15(11(14)16)4-2-3-13/h5,7,9H,2-4,6,13H2,1H3.
What are the key properties of 1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one?
1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one has a molecular weight of 318.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 116981451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).