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

C14H15BrFN3 — CID 114707633

IUPAC2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
SMILESFc1ccc(-n2cncc2C2CCCCN2)cc1Br
InChIInChI=1S/C14H15BrFN3/c15-11-7-10(4-5-12(11)16)19-9-17-8-14(19)13-3-1-2-6-18-13/h4-5,7-9,13,18H,1-3,6H2
InChIKeyMTEUIJOFEPOJLP-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.59
Rot. Bonds2

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

2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine (PubChem CID 114707633) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
PubChem CID114707633
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
SMILESFc1ccc(-n2cncc2C2CCCCN2)cc1Br
InChIInChI=1S/C14H15BrFN3/c15-11-7-10(4-5-12(11)16)19-9-17-8-14(19)13-3-1-2-6-18-13/h4-5,7-9,13,18H,1-3,6H2
InChIKeyMTEUIJOFEPOJLP-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296
2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
CID 114702951
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile
CID 107795800
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461
1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943687
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 114703043

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine (CID 114707633) is 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine is Fc1ccc(-n2cncc2C2CCCCN2)cc1Br.
What is the InChIKey of 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine?
The InChIKey is MTEUIJOFEPOJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c15-11-7-10(4-5-12(11)16)19-9-17-8-14(19)13-3-1-2-6-18-13/h4-5,7-9,13,18H,1-3,6H2.
What are the key properties of 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine?
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine has a molecular weight of 324.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114707633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).