1-[1-(4-bromothiophen-2-yl)butyl]imidazole

C11H13BrN2S — CID 14514398

IUPAC1-[1-(4-bromothiophen-2-yl)butyl]imidazole
SMILESCCCC(c1cc(Br)cs1)n1ccnc1
InChIInChI=1S/C11H13BrN2S/c1-2-3-10(14-5-4-13-8-14)11-6-9(12)7-15-11/h4-8,10H,2-3H2,1H3
InChIKeyOEOHLZRIMGQSQN-UHFFFAOYSA-N
MW285.21 g/mol
LogP4.10
Rot. Bonds4

About 1-[1-(4-bromothiophen-2-yl)butyl]imidazole

1-[1-(4-bromothiophen-2-yl)butyl]imidazole (PubChem CID 14514398) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 1-[1-(4-bromothiophen-2-yl)butyl]imidazole.

Molecular Properties

Compound Name1-[1-(4-bromothiophen-2-yl)butyl]imidazole
PubChem CID14514398
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name1-[1-(4-bromothiophen-2-yl)butyl]imidazole
SMILESCCCC(c1cc(Br)cs1)n1ccnc1
InChIInChI=1S/C11H13BrN2S/c1-2-3-10(14-5-4-13-8-14)11-6-9(12)7-15-11/h4-8,10H,2-3H2,1H3
InChIKeyOEOHLZRIMGQSQN-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-bromothiophen-2-yl)butyl]imidazole 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 1-[1-(4-bromothiophen-2-yl)butyl]imidazole?
The IUPAC name of 1-[1-(4-bromothiophen-2-yl)butyl]imidazole (CID 14514398) is 1-[1-(4-bromothiophen-2-yl)butyl]imidazole.
What is the SMILES notation for 1-[1-(4-bromothiophen-2-yl)butyl]imidazole?
The canonical SMILES for 1-[1-(4-bromothiophen-2-yl)butyl]imidazole is CCCC(c1cc(Br)cs1)n1ccnc1.
What is the InChIKey of 1-[1-(4-bromothiophen-2-yl)butyl]imidazole?
The InChIKey is OEOHLZRIMGQSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-2-3-10(14-5-4-13-8-14)11-6-9(12)7-15-11/h4-8,10H,2-3H2,1H3.
What are the key properties of 1-[1-(4-bromothiophen-2-yl)butyl]imidazole?
1-[1-(4-bromothiophen-2-yl)butyl]imidazole has a molecular weight of 285.21 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromothiophen-2-yl)butyl]imidazole is sourced from PubChem (CID 14514398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).