N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine

C11H14BrN3S — CID 115900750

IUPACN-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
SMILESCC(NCc1csc(Br)c1)c1nccn1C
InChIInChI=1S/C11H14BrN3S/c1-8(11-13-3-4-15(11)2)14-6-9-5-10(12)16-7-9/h3-5,7-8,14H,6H2,1-2H3
InChIKeyYNYABPWQGXBJAO-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.09
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine

N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 115900750) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID115900750
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
SMILESCC(NCc1csc(Br)c1)c1nccn1C
InChIInChI=1S/C11H14BrN3S/c1-8(11-13-3-4-15(11)2)14-6-9-5-10(12)16-7-9/h3-5,7-8,14H,6H2,1-2H3
InChIKeyYNYABPWQGXBJAO-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380424
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
N-[(5-bromothiophen-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 47030408
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 103913849
N-[(5-bromothiophen-3-yl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 43746961
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
ethyl 3-[1-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoate
CID 110474175
N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115709428
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine (CID 115900750) is N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine is CC(NCc1csc(Br)c1)c1nccn1C.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is YNYABPWQGXBJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-8(11-13-3-4-15(11)2)14-6-9-5-10(12)16-7-9/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 300.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 115900750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).