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

C16H20BrN3 — CID 114721544

IUPAC4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCc1cccc(-n2cncc2C2(C)CCNCC2)c1Br
InChIInChI=1S/C16H20BrN3/c1-12-4-3-5-13(15(12)17)20-11-19-10-14(20)16(2)6-8-18-9-7-16/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyBCJHKJZNYADNBS-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.58
Rot. Bonds2

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

4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine (PubChem CID 114721544) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine
PubChem CID114721544
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCc1cccc(-n2cncc2C2(C)CCNCC2)c1Br
InChIInChI=1S/C16H20BrN3/c1-12-4-3-5-13(15(12)17)20-11-19-10-14(20)16(2)6-8-18-9-7-16/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyBCJHKJZNYADNBS-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-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine (CID 114721544) is 4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine is Cc1cccc(-n2cncc2C2(C)CCNCC2)c1Br.
What is the InChIKey of 4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
The InChIKey is BCJHKJZNYADNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12-4-3-5-13(15(12)17)20-11-19-10-14(20)16(2)6-8-18-9-7-16/h3-5,10-11,18H,6-9H2,1-2H3.
What are the key properties of 4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
4-[3-(2-bromo-3-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-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 114721544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).