[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C15H17BrFN3O — CID 107590648

IUPAC[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1cc(F)c(Br)cc1-n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H17BrFN3O/c1-9-4-12(17)11(16)5-13(9)20-8-19-6-14(20)15(18)10-2-3-21-7-10/h4-6,8,10,15H,2-3,7,18H2,1H3
InChIKeyYBNYUTIQVKSDCY-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.12
Rot. Bonds3

About [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 107590648) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID107590648
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1cc(F)c(Br)cc1-n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H17BrFN3O/c1-9-4-12(17)11(16)5-13(9)20-8-19-6-14(20)15(18)10-2-3-21-7-10/h4-6,8,10,15H,2-3,7,18H2,1H3
InChIKeyYBNYUTIQVKSDCY-UHFFFAOYSA-N
XLogP3.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 107590648) is [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is Cc1cc(F)c(Br)cc1-n1cncc1C(N)C1CCOC1.
What is the InChIKey of [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is YBNYUTIQVKSDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-9-4-12(17)11(16)5-13(9)20-8-19-6-14(20)15(18)10-2-3-21-7-10/h4-6,8,10,15H,2-3,7,18H2,1H3.
What are the key properties of [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 354.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 107590648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).