N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine

C12H16BrN3S — CID 103913849

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
SMILESCC(NCCc1ccc(Br)s1)c1nccn1C
InChIInChI=1S/C12H16BrN3S/c1-9(12-15-7-8-16(12)2)14-6-5-10-3-4-11(13)17-10/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyUYSKRIRIWKPBSR-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 103913849) has the molecular formula C12H16BrN3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID103913849
Molecular FormulaC12H16BrN3S
Molecular Weight314.25 g/mol
Exact Mass313.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
SMILESCC(NCCc1ccc(Br)s1)c1nccn1C
InChIInChI=1S/C12H16BrN3S/c1-9(12-15-7-8-16(12)2)14-6-5-10-3-4-11(13)17-10/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyUYSKRIRIWKPBSR-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-bromothiophen-2-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258015
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 103910469
N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 115712475
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879121
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106043570
N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 115900750
1-(1-methylimidazol-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682912
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile
CID 106047119

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine (CID 103913849) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine is CC(NCCc1ccc(Br)s1)c1nccn1C.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is UYSKRIRIWKPBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S/c1-9(12-15-7-8-16(12)2)14-6-5-10-3-4-11(13)17-10/h3-4,7-9,14H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 314.25 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 103913849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).