4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine

C15H17BrFN3 — CID 114718003

IUPAC4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2-c2cc(Br)ccc2F)CCNCC1
InChIInChI=1S/C15H17BrFN3/c1-15(4-6-18-7-5-15)14-9-19-10-20(14)13-8-11(16)2-3-12(13)17/h2-3,8-10,18H,4-7H2,1H3
InChIKeyUYDNKNIOQBKQHA-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.41
Rot. Bonds2

About 4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine

4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine (PubChem CID 114718003) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine
PubChem CID114718003
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2-c2cc(Br)ccc2F)CCNCC1
InChIInChI=1S/C15H17BrFN3/c1-15(4-6-18-7-5-15)14-9-19-10-20(14)13-8-11(16)2-3-12(13)17/h2-3,8-10,18H,4-7H2,1H3
InChIKeyUYDNKNIOQBKQHA-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine (CID 114718003) is 4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine is CC1(c2cncn2-c2cc(Br)ccc2F)CCNCC1.
What is the InChIKey of 4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine?
The InChIKey is UYDNKNIOQBKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-15(4-6-18-7-5-15)14-9-19-10-20(14)13-8-11(16)2-3-12(13)17/h2-3,8-10,18H,4-7H2,1H3.
What are the key properties of 4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine?
4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine has a molecular weight of 338.22 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-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 114718003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).