2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine

C10H12BrN3S — CID 107974649

IUPAC2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
SMILESCn1cnc(C(N)Cc2sccc2Br)c1
InChIInChI=1S/C10H12BrN3S/c1-14-5-9(13-6-14)8(12)4-10-7(11)2-3-15-10/h2-3,5-6,8H,4,12H2,1H3
InChIKeyLDIKJVBMSNQSCH-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.49
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine

2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine (PubChem CID 107974649) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
PubChem CID107974649
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
SMILESCn1cnc(C(N)Cc2sccc2Br)c1
InChIInChI=1S/C10H12BrN3S/c1-14-5-9(13-6-14)8(12)4-10-7(11)2-3-15-10/h2-3,5-6,8H,4,12H2,1H3
InChIKeyLDIKJVBMSNQSCH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 65195436
2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 114022865
1-(3-bromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107976806
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylimidazol-4-yl)ethanamine
CID 107976895
2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107977095
2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107974648
2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115849210
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 103859682
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine (CID 107974649) is 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine is Cn1cnc(C(N)Cc2sccc2Br)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is LDIKJVBMSNQSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-14-5-9(13-6-14)8(12)4-10-7(11)2-3-15-10/h2-3,5-6,8H,4,12H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 286.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 107974649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).