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

C15H18BrN3O — CID 114706296

IUPAC2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
SMILESCOc1ccc(-n2cncc2C2CCCCN2)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-20-15-6-5-11(8-12(15)16)19-10-17-9-14(19)13-4-2-3-7-18-13/h5-6,8-10,13,18H,2-4,7H2,1H3
InChIKeyOUXHNWJDRFXXET-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.46
Rot. Bonds3

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

2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine (PubChem CID 114706296) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
PubChem CID114706296
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
SMILESCOc1ccc(-n2cncc2C2CCCCN2)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-20-15-6-5-11(8-12(15)16)19-10-17-9-14(19)13-4-2-3-7-18-13/h5-6,8-10,13,18H,2-4,7H2,1H3
InChIKeyOUXHNWJDRFXXET-UHFFFAOYSA-N
XLogP3.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile
CID 107795800
1-(2-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941589
1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943687
2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
CID 114705681
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461
1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 107581323
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
CID 104943673
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine (CID 114706296) is 2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine is COc1ccc(-n2cncc2C2CCCCN2)cc1Br.
What is the InChIKey of 2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine?
The InChIKey is OUXHNWJDRFXXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-15-6-5-11(8-12(15)16)19-10-17-9-14(19)13-4-2-3-7-18-13/h5-6,8-10,13,18H,2-4,7H2,1H3.
What are the key properties of 2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine?
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine has a molecular weight of 336.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114706296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).