1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine

C11H14BrN3S — CID 61323680

IUPAC1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCC(NCCn1ccnc1)c1ccc(Br)s1
InChIInChI=1S/C11H14BrN3S/c1-9(10-2-3-11(12)16-10)14-5-7-15-6-4-13-8-15/h2-4,6,8-9,14H,5,7H2,1H3
InChIKeyCFALGZJGGOUWMT-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.06
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine

1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine (PubChem CID 61323680) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
PubChem CID61323680
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCC(NCCn1ccnc1)c1ccc(Br)s1
InChIInChI=1S/C11H14BrN3S/c1-9(10-2-3-11(12)16-10)14-5-7-15-6-4-13-8-15/h2-4,6,8-9,14H,5,7H2,1H3
InChIKeyCFALGZJGGOUWMT-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
N-[1-(4-bromothiophen-2-yl)ethyl]-4-imidazol-1-ylbutan-1-amine
CID 107167300
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115878869
N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 61326129
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
CID 61326124
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
2-[1-(2-imidazol-1-ylethylamino)ethyl]benzene-1,4-diol
CID 61325507

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine (CID 61323680) is 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine is CC(NCCn1ccnc1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine?
The InChIKey is CFALGZJGGOUWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-9(10-2-3-11(12)16-10)14-5-7-15-6-4-13-8-15/h2-4,6,8-9,14H,5,7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine?
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine has a molecular weight of 300.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine is sourced from PubChem (CID 61323680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).