5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine

C15H19BrFN3 — CID 62218846

IUPAC5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2cc(Br)ccc2F)c(N)n1C(C)(C)C
InChIInChI=1S/C15H19BrFN3/c1-5-12-19-13(14(18)20(12)15(2,3)4)10-8-9(16)6-7-11(10)17/h6-8H,5,18H2,1-4H3
InChIKeyFPHFTBJVMODYOR-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.35
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine

5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine (PubChem CID 62218846) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine
PubChem CID62218846
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2cc(Br)ccc2F)c(N)n1C(C)(C)C
InChIInChI=1S/C15H19BrFN3/c1-5-12-19-13(14(18)20(12)15(2,3)4)10-8-9(16)6-7-11(10)17/h6-8H,5,18H2,1-4H3
InChIKeyFPHFTBJVMODYOR-UHFFFAOYSA-N
XLogP4.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine (CID 62218846) is 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine is CCc1nc(-c2cc(Br)ccc2F)c(N)n1C(C)(C)C.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine?
The InChIKey is FPHFTBJVMODYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-5-12-19-13(14(18)20(12)15(2,3)4)10-8-9(16)6-7-11(10)17/h6-8H,5,18H2,1-4H3.
What are the key properties of 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine?
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine has a molecular weight of 340.24 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-ethylimidazol-4-amine is sourced from PubChem (CID 62218846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).