4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine

C12H14BrN3S — CID 82308947

IUPAC4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
SMILESBrc1csc(-c2cnc(C3CCNCC3)[nH]2)c1
InChIInChI=1S/C12H14BrN3S/c13-9-5-11(17-7-9)10-6-15-12(16-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2,(H,15,16)
InChIKeyVPGOMLTXZOCLRH-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.37
Rot. Bonds2

About 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine

4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine (PubChem CID 82308947) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
PubChem CID82308947
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
SMILESBrc1csc(-c2cnc(C3CCNCC3)[nH]2)c1
InChIInChI=1S/C12H14BrN3S/c13-9-5-11(17-7-9)10-6-15-12(16-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2,(H,15,16)
InChIKeyVPGOMLTXZOCLRH-UHFFFAOYSA-N
XLogP3.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
CID 116881125
4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 107354701
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
CID 90169798
4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine
CID 84607127
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371
5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 116974771
4-(5-methyl-1H-imidazol-2-yl)piperidine
CID 22096510
5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 107355298
1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone
CID 116880680
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine (CID 82308947) is 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine is Brc1csc(-c2cnc(C3CCNCC3)[nH]2)c1.
What is the InChIKey of 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine?
The InChIKey is VPGOMLTXZOCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c13-9-5-11(17-7-9)10-6-15-12(16-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2,(H,15,16).
What are the key properties of 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine?
4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine has a molecular weight of 312.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 82308947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).