1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole

C15H17BrFN3 — CID 107590631

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCc1cc(F)c(Br)cc1-n1cncc1C1(C)CCNC1
InChIInChI=1S/C15H17BrFN3/c1-10-5-12(17)11(16)6-13(10)20-9-19-7-14(20)15(2)3-4-18-8-15/h5-7,9,18H,3-4,8H2,1-2H3
InChIKeyMAVBYFIVVPUGGZ-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.33
Rot. Bonds2

About 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole

1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 107590631) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID107590631
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCc1cc(F)c(Br)cc1-n1cncc1C1(C)CCNC1
InChIInChI=1S/C15H17BrFN3/c1-10-5-12(17)11(16)6-13(10)20-9-19-7-14(20)15(2)3-4-18-8-15/h5-7,9,18H,3-4,8H2,1-2H3
InChIKeyMAVBYFIVVPUGGZ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 107590631) is 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole is Cc1cc(F)c(Br)cc1-n1cncc1C1(C)CCNC1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is MAVBYFIVVPUGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-10-5-12(17)11(16)6-13(10)20-9-19-7-14(20)15(2)3-4-18-8-15/h5-7,9,18H,3-4,8H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 338.22 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 107590631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).