3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid

C10H9BrN2O2S — CID 82308411

IUPAC3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid
SMILESO=C(O)CCc1[nH]cnc1-c1cc(Br)cs1
InChIInChI=1S/C10H9BrN2O2S/c11-6-3-8(16-4-6)10-7(12-5-13-10)1-2-9(14)15/h3-5H,1-2H2,(H,12,13)(H,14,15)
InChIKeyGGFFRTWAIYXLAK-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.92
Rot. Bonds4

About 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid

3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid (PubChem CID 82308411) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid
PubChem CID82308411
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid
SMILESO=C(O)CCc1[nH]cnc1-c1cc(Br)cs1
InChIInChI=1S/C10H9BrN2O2S/c11-6-3-8(16-4-6)10-7(12-5-13-10)1-2-9(14)15/h3-5H,1-2H2,(H,12,13)(H,14,15)
InChIKeyGGFFRTWAIYXLAK-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid (CID 82308411) is 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid is O=C(O)CCc1[nH]cnc1-c1cc(Br)cs1.
What is the InChIKey of 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid?
The InChIKey is GGFFRTWAIYXLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c11-6-3-8(16-4-6)10-7(12-5-13-10)1-2-9(14)15/h3-5H,1-2H2,(H,12,13)(H,14,15).
What are the key properties of 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid?
3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid has a molecular weight of 301.17 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid is sourced from PubChem (CID 82308411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).