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

C16H20BrN3O — CID 114719638

IUPAC4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCOc1ccc(Br)cc1-n1cncc1C1(C)CCNCC1
InChIInChI=1S/C16H20BrN3O/c1-16(5-7-18-8-6-16)15-10-19-11-20(15)13-9-12(17)3-4-14(13)21-2/h3-4,9-11,18H,5-8H2,1-2H3
InChIKeyRRCXFQXCENHYST-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.28
Rot. Bonds3

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

4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine (PubChem CID 114719638) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine
PubChem CID114719638
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCOc1ccc(Br)cc1-n1cncc1C1(C)CCNCC1
InChIInChI=1S/C16H20BrN3O/c1-16(5-7-18-8-6-16)15-10-19-11-20(15)13-9-12(17)3-4-14(13)21-2/h3-4,9-11,18H,5-8H2,1-2H3
InChIKeyRRCXFQXCENHYST-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine (CID 114719638) is 4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine is COc1ccc(Br)cc1-n1cncc1C1(C)CCNCC1.
What is the InChIKey of 4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine?
The InChIKey is RRCXFQXCENHYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-16(5-7-18-8-6-16)15-10-19-11-20(15)13-9-12(17)3-4-14(13)21-2/h3-4,9-11,18H,5-8H2,1-2H3.
What are the key properties of 4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine?
4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine has a molecular weight of 350.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 114719638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).