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

C16H20BrN3 — CID 107581332

IUPAC4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCc1cc(Br)cc(-n2cncc2C2(C)CCNCC2)c1
InChIInChI=1S/C16H20BrN3/c1-12-7-13(17)9-14(8-12)20-11-19-10-15(20)16(2)3-5-18-6-4-16/h7-11,18H,3-6H2,1-2H3
InChIKeyONOYFLLXLVYOFN-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.58
Rot. Bonds2

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

4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine (PubChem CID 107581332) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine
PubChem CID107581332
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCc1cc(Br)cc(-n2cncc2C2(C)CCNCC2)c1
InChIInChI=1S/C16H20BrN3/c1-12-7-13(17)9-14(8-12)20-11-19-10-15(20)16(2)3-5-18-6-4-16/h7-11,18H,3-6H2,1-2H3
InChIKeyONOYFLLXLVYOFN-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine (CID 107581332) is 4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine is Cc1cc(Br)cc(-n2cncc2C2(C)CCNCC2)c1.
What is the InChIKey of 4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
The InChIKey is ONOYFLLXLVYOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12-7-13(17)9-14(8-12)20-11-19-10-15(20)16(2)3-5-18-6-4-16/h7-11,18H,3-6H2,1-2H3.
What are the key properties of 4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine has a molecular weight of 334.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 107581332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).