2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine

C10H12BrN3S — CID 82307623

IUPAC2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
SMILESCc1nc(-c2cc(Br)cs2)cn1CCN
InChIInChI=1S/C10H12BrN3S/c1-7-13-9(5-14(7)3-2-12)10-4-8(11)6-15-10/h4-6H,2-3,12H2,1H3
InChIKeyKDBXTWYFRIQENQ-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.64
Rot. Bonds3

About 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine

2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine (PubChem CID 82307623) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
PubChem CID82307623
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
SMILESCc1nc(-c2cc(Br)cs2)cn1CCN
InChIInChI=1S/C10H12BrN3S/c1-7-13-9(5-14(7)3-2-12)10-4-8(11)6-15-10/h4-6H,2-3,12H2,1H3
InChIKeyKDBXTWYFRIQENQ-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-2-methylimidazol-4-amine
CID 140552269
[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857651
2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine
CID 82288563
[2-(4-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 107355567
2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine
CID 95456247
2-[2-methyl-4-(4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95466244
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82488638
2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604361
2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82490213
2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
CID 82488410
3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
CID 116856607

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine (CID 82307623) is 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine is Cc1nc(-c2cc(Br)cs2)cn1CCN.
What is the InChIKey of 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine?
The InChIKey is KDBXTWYFRIQENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-7-13-9(5-14(7)3-2-12)10-4-8(11)6-15-10/h4-6H,2-3,12H2,1H3.
What are the key properties of 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine?
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine has a molecular weight of 286.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine is sourced from PubChem (CID 82307623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).