2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one

C9H9BrN2OS — CID 106952623

IUPAC2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C9H9BrN2OS/c1-2-6-9(13)12-8(11-6)7-3-5(10)4-14-7/h3-4,6H,2H2,1H3,(H,11,12,13)
InChIKeyICYONDILEQWDOF-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.17
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one

2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one (PubChem CID 106952623) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
PubChem CID106952623
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C9H9BrN2OS/c1-2-6-9(13)12-8(11-6)7-3-5(10)4-14-7/h3-4,6H,2H2,1H3,(H,11,12,13)
InChIKeyICYONDILEQWDOF-UHFFFAOYSA-N
XLogP2.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one
CID 56639314
(5R)-5-(dimethylamino)-2-thiophen-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089655
2-Thiophen-2-yl-1,4-dihydroimidazol-5-one
CID 90942070
6-(1-aminopropyl)-3-(3-bromothiophen-2-yl)-4H-1,2,4-triazin-5-one
CID 135788005
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116
2-[(4-Bromothiophen-2-yl)methylamino]propanamide
CID 43402392
2-(4-Bromothiophen-2-yl)pyrimidin-4(3H)-one
CID 43654636
2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide
CID 47085327
2-[(4-Bromothiophen-2-yl)methyl-methylamino]butanamide
CID 55211327
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947339
2-(4-bromothiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611449
2-[(4-Bromothiophen-2-yl)methylamino]butanamide
CID 64058864

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one (CID 106952623) is 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one is CCC1N=C(c2cc(Br)cs2)NC1=O.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one?
The InChIKey is ICYONDILEQWDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-2-6-9(13)12-8(11-6)7-3-5(10)4-14-7/h3-4,6H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one?
2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one has a molecular weight of 273.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).