2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine

C10H12BrN3S — CID 114720975

IUPAC2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine
SMILESNCCc1cncn1Cc1ccc(Br)s1
InChIInChI=1S/C10H12BrN3S/c11-10-2-1-9(15-10)6-14-7-13-5-8(14)3-4-12/h1-2,5,7H,3-4,6,12H2
InChIKeyUSNCZMJVIZEMOD-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.26
Rot. Bonds4

About 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine

2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 114720975) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID114720975
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine
SMILESNCCc1cncn1Cc1ccc(Br)s1
InChIInChI=1S/C10H12BrN3S/c11-10-2-1-9(15-10)6-14-7-13-5-8(14)3-4-12/h1-2,5,7H,3-4,6,12H2
InChIKeyUSNCZMJVIZEMOD-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-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

N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150168
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
2-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377565
2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine
CID 114719551
2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377472
2-(3-prop-2-enylimidazol-4-yl)ethanamine
CID 114717587
1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole
CID 130508233
2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 114721839
5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 106041274
2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114720425
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine (CID 114720975) is 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine is NCCc1cncn1Cc1ccc(Br)s1.
What is the InChIKey of 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is USNCZMJVIZEMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c11-10-2-1-9(15-10)6-14-7-13-5-8(14)3-4-12/h1-2,5,7H,3-4,6,12H2.
What are the key properties of 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine?
2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 286.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 114720975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).