2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium

C17H20N2S3+2 — CID 6926113

IUPAC2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium
SMILESc1csc(C[NH+]2CC[NH+](Cc3cccs3)C2c2cccs2)c1
InChIInChI=1S/C17H18N2S3/c1-4-14(20-9-1)12-18-7-8-19(13-15-5-2-10-21-15)17(18)16-6-3-11-22-16/h1-6,9-11,17H,7-8,12-13H2/p+2
InChIKeyUDVRIMIDSZLUTC-UHFFFAOYSA-P
MW348.56 g/mol
LogP2.05
Rot. Bonds5

About 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium

2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium (PubChem CID 6926113) has the molecular formula C17H20N2S3+2 and a molecular weight of 348.56 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium
PubChem CID6926113
Molecular FormulaC17H20N2S3+2
Molecular Weight348.56 g/mol
Exact Mass348.08
IUPAC Name2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium
SMILESc1csc(C[NH+]2CC[NH+](Cc3cccs3)C2c2cccs2)c1
InChIInChI=1S/C17H18N2S3/c1-4-14(20-9-1)12-18-7-8-19(13-15-5-2-10-21-15)17(18)16-6-3-11-22-16/h1-6,9-11,17H,7-8,12-13H2/p+2
InChIKeyUDVRIMIDSZLUTC-UHFFFAOYSA-P
XLogP2.05
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[2-(2-Thienyl)-3-(2-thienylmethyl)imidazolidinyl]methyl}thiophene
CID 566392
N~1~,N~2~-bis(2-thienylmethyl)-1,2-ethanediamine
CID 450351
technetium-99;N-(thiophen-2-ylmethyl)-N',N'-bis[2-(thiophen-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 449979
2-(2-Thienyl)-1,3-bis(2-thienylmethyl)perhydropyrimidine
CID 139072104
2-[Bis[2-(thiophen-2-ylmethylazaniumyl)ethyl]amino]ethyl-(thiophen-2-ylmethyl)azanium trinitrate
CID 139144507
1-[2-(Dimethylamino)ethyl]-3-(thiophen-2-ylmethyl)thiourea
CID 4214701
1-N,4-N-bis(thiophen-2-ylmethyl)piperazine-1,4-dicarbothioamide
CID 9114935
2-(Pyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)ethan-1-amine
CID 28653605
1-(2-(Pyrrolidin-1-yl)-2-(thiophen-3-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 44025348
1(2H)-Pyrazinecarbothioamide, tetrahydro-4-[2-(2-thienyl)ethyl]-N-(2-thienylmethyl)-
CID 16763123
2-Thiophen-2-ylimidazolidine
CID 54098701
N-[(5-methylthiophen-2-yl)methyl]-N',N'-bis[2-[(5-methylthiophen-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 59751000

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium?
The IUPAC name of 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium (CID 6926113) is 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium.
What is the SMILES notation for 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium?
The canonical SMILES for 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium is c1csc(C[NH+]2CC[NH+](Cc3cccs3)C2c2cccs2)c1.
What is the InChIKey of 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium?
The InChIKey is UDVRIMIDSZLUTC-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H18N2S3/c1-4-14(20-9-1)12-18-7-8-19(13-15-5-2-10-21-15)17(18)16-6-3-11-22-16/h1-6,9-11,17H,7-8,12-13H2/p+2.
What are the key properties of 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium?
2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium has a molecular weight of 348.56 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)imidazolidine-1,3-diium is sourced from PubChem (CID 6926113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).