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

C9H13BrN2S — CID 7471991

IUPAC2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine
SMILESCN1CCN(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
InChIKeyRQUUUJPXXCQJCS-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.39
Rot. Bonds1

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

2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine (PubChem CID 7471991) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine
PubChem CID7471991
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine
SMILESCN1CCN(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
InChIKeyRQUUUJPXXCQJCS-UHFFFAOYSA-N
XLogP2.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine (CID 7471991) is 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine is CN1CCN(C)C1c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine?
The InChIKey is RQUUUJPXXCQJCS-UHFFFAOYSA-N. 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.
What are the key properties of 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine?
2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine has a molecular weight of 261.19 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1,3-dimethylimidazolidine is sourced from PubChem (CID 7471991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).