3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine

C15H18BrN3 — CID 84604162

IUPAC3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
SMILESCn1c(-c2cccc(Br)c2)cnc1C1CCCNC1
InChIInChI=1S/C15H18BrN3/c1-19-14(11-4-2-6-13(16)8-11)10-18-15(19)12-5-3-7-17-9-12/h2,4,6,8,10,12,17H,3,5,7,9H2,1H3
InChIKeyKCXVZWRIEHOKIX-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.32
Rot. Bonds2

About 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine

3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine (PubChem CID 84604162) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine.

Molecular Properties

Compound Name3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
PubChem CID84604162
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
SMILESCn1c(-c2cccc(Br)c2)cnc1C1CCCNC1
InChIInChI=1S/C15H18BrN3/c1-19-14(11-4-2-6-13(16)8-11)10-18-15(19)12-5-3-7-17-9-12/h2,4,6,8,10,12,17H,3,5,7,9H2,1H3
InChIKeyKCXVZWRIEHOKIX-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304
5-methyl-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84740105
5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84715623
3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine
CID 84609986
5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 79432183
2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885080
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632
4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
CID 84715755
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidine
CID 176967131

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine?
The IUPAC name of 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine (CID 84604162) is 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine.
What is the SMILES notation for 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine?
The canonical SMILES for 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine is Cn1c(-c2cccc(Br)c2)cnc1C1CCCNC1.
What is the InChIKey of 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine?
The InChIKey is KCXVZWRIEHOKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19-14(11-4-2-6-13(16)8-11)10-18-15(19)12-5-3-7-17-9-12/h2,4,6,8,10,12,17H,3,5,7,9H2,1H3.
What are the key properties of 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine?
3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine has a molecular weight of 320.23 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine is sourced from PubChem (CID 84604162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).