2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium

C9H15BrN2S+2 — CID 7471990

IUPAC2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium
SMILESC[NH+]1CC[NH+](C)C1c1cc(Br)cs1
InChIInChI=1S/C9H13BrN2S/c1-11-3-4-12(2)9(11)8-5-7(10)6-13-8/h5-6,9H,3-4H2,1-2H3/p+2
InChIKeyRQUUUJPXXCQJCS-UHFFFAOYSA-P
MW263.20 g/mol
LogP-0.45
Rot. Bonds1

About 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium

2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium (PubChem CID 7471990) has the molecular formula C9H15BrN2S+2 and a molecular weight of 263.20 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium
PubChem CID7471990
Molecular FormulaC9H15BrN2S+2
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium
SMILESC[NH+]1CC[NH+](C)C1c1cc(Br)cs1
InChIInChI=1S/C9H13BrN2S/c1-11-3-4-12(2)9(11)8-5-7(10)6-13-8/h5-6,9H,3-4H2,1-2H3/p+2
InChIKeyRQUUUJPXXCQJCS-UHFFFAOYSA-P
XLogP-0.45
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-thienyl)methyl]-N,N',N'-trimethyl-1,2-ethanediamine
CID 30326957
1,3-Dimethyl-2-(2-thienyl)imidazolidine
CID 2797481
1-(4-Bromothiophen-2-yl)-N-methylmethanamine
CID 42282034
N-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 53504946
(2E)-1-[(5-bromothiophen-2-yl)methyl]-2-(nitromethylidene)imidazolidine
CID 76315984
1-((4-Bromothiophen-2-yl)methyl)-4-methylpiperazine
CID 677218
2-(4-Bromothiophen-2-yl)pyrrolidine hydrochloride
CID 17389804
2-(4-Bromothiophen-2-yl)pyrrolidine
CID 17389805
N-[(4-bromothiophen-2-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 54927225
1-(4-bromothiophen-2-yl)-N-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60893092
2-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 61568259
1-(4-bromothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 61603601

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium (CID 7471990) is 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium is C[NH+]1CC[NH+](C)C1c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium?
The InChIKey is RQUUUJPXXCQJCS-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H13BrN2S/c1-11-3-4-12(2)9(11)8-5-7(10)6-13-8/h5-6,9H,3-4H2,1-2H3/p+2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium?
2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium has a molecular weight of 263.20 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine-1,3-diium is sourced from PubChem (CID 7471990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).