2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine

C11H14BrN3S — CID 62351062

IUPAC2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
SMILESCc1ncn(C(CN)c2cc(Br)cs2)c1C
InChIInChI=1S/C11H14BrN3S/c1-7-8(2)15(6-14-7)10(4-13)11-3-9(12)5-16-11/h3,5-6,10H,4,13H2,1-2H3
InChIKeyPOCZHFXRHYOBEP-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.87
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine

2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine (PubChem CID 62351062) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
PubChem CID62351062
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
SMILESCc1ncn(C(CN)c2cc(Br)cs2)c1C
InChIInChI=1S/C11H14BrN3S/c1-7-8(2)15(6-14-7)10(4-13)11-3-9(12)5-16-11/h3,5-6,10H,4,13H2,1-2H3
InChIKeyPOCZHFXRHYOBEP-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 43123646
2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine
CID 55064925
2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 43123632
2-(4-bromothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175202
2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43123628
2-(4-bromothiophen-2-yl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 114086348
1-[2-amino-1-(4-bromothiophen-2-yl)ethyl]-1,4-diazepan-5-one
CID 55134307
2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541933
[4-[2-amino-1-(4-bromothiophen-2-yl)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776410
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222450
1-[1-(4-bromothiophen-2-yl)butyl]imidazole
CID 14514398

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine (CID 62351062) is 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine is Cc1ncn(C(CN)c2cc(Br)cs2)c1C.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The InChIKey is POCZHFXRHYOBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-7-8(2)15(6-14-7)10(4-13)11-3-9(12)5-16-11/h3,5-6,10H,4,13H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine has a molecular weight of 300.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine is sourced from PubChem (CID 62351062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).