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

C12H15BrN4S — CID 116881125

IUPAC3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
SMILESCN1CCNC(c2ncc(-c3cc(Br)cs3)[nH]2)C1
InChIInChI=1S/C12H15BrN4S/c1-17-3-2-14-10(6-17)12-15-5-9(16-12)11-4-8(13)7-18-11/h4-5,7,10,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyKDXLISRWMASXBN-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.48
Rot. Bonds2

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

3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine (PubChem CID 116881125) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine.

Molecular Properties

Compound Name3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
PubChem CID116881125
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
SMILESCN1CCNC(c2ncc(-c3cc(Br)cs3)[nH]2)C1
InChIInChI=1S/C12H15BrN4S/c1-17-3-2-14-10(6-17)12-15-5-9(16-12)11-4-8(13)7-18-11/h4-5,7,10,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyKDXLISRWMASXBN-UHFFFAOYSA-N
XLogP2.48
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
CID 116881118
1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine
CID 116881129
4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
CID 82308947
3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
CID 116881114
1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine
CID 116881113
4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole
CID 116966532
1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone
CID 116880680
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
(4-bromothiophen-2-yl)-(4-methylpiperazin-2-yl)methanone
CID 116919836
CID 144634079
CID 144634079
5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 150236542

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine?
The IUPAC name of 3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine (CID 116881125) is 3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine.
What is the SMILES notation for 3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine?
The canonical SMILES for 3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine is CN1CCNC(c2ncc(-c3cc(Br)cs3)[nH]2)C1.
What is the InChIKey of 3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine?
The InChIKey is KDXLISRWMASXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-17-3-2-14-10(6-17)12-15-5-9(16-12)11-4-8(13)7-18-11/h4-5,7,10,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine?
3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine has a molecular weight of 327.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine is sourced from PubChem (CID 116881125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).