4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine

C15H18BrN3 — CID 114703160

IUPAC4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
SMILESCc1cc(Br)ccc1-n1cncc1C1CCNCC1
InChIInChI=1S/C15H18BrN3/c1-11-8-13(16)2-3-14(11)19-10-18-9-15(19)12-4-6-17-7-5-12/h2-3,8-10,12,17H,4-7H2,1H3
InChIKeySSYGKEZUIRTOLJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.41
Rot. Bonds2

About 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine

4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine (PubChem CID 114703160) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
PubChem CID114703160
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
SMILESCc1cc(Br)ccc1-n1cncc1C1CCNCC1
InChIInChI=1S/C15H18BrN3/c1-11-8-13(16)2-3-14(11)19-10-18-9-15(19)12-4-6-17-7-5-12/h2-3,8-10,12,17H,4-7H2,1H3
InChIKeySSYGKEZUIRTOLJ-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine
CID 114703213
4-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]piperidine
CID 114703013
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716752
4-[3-(2-fluorophenyl)imidazol-4-yl]piperidine
CID 114703452
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647
1-(4-bromo-2-methylphenyl)-7-methyl-1,4-diazepane
CID 82307445
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine
CID 114706284

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine (CID 114703160) is 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine is Cc1cc(Br)ccc1-n1cncc1C1CCNCC1.
What is the InChIKey of 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine?
The InChIKey is SSYGKEZUIRTOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-8-13(16)2-3-14(11)19-10-18-9-15(19)12-4-6-17-7-5-12/h2-3,8-10,12,17H,4-7H2,1H3.
What are the key properties of 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine?
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine has a molecular weight of 320.23 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114703160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).