5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine

C14H17BrFN3 — CID 55047540

IUPAC5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCc1nc(-c2cc(Br)ccc2F)c(N)n1CC(C)C
InChIInChI=1S/C14H17BrFN3/c1-8(2)7-19-9(3)18-13(14(19)17)11-6-10(15)4-5-12(11)16/h4-6,8H,7,17H2,1-3H3
InChIKeyNYJGHJXBLXWMMR-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.00
Rot. Bonds3

About 5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine

5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 55047540) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
PubChem CID55047540
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCc1nc(-c2cc(Br)ccc2F)c(N)n1CC(C)C
InChIInChI=1S/C14H17BrFN3/c1-8(2)7-19-9(3)18-13(14(19)17)11-6-10(15)4-5-12(11)16/h4-6,8H,7,17H2,1-3H3
InChIKeyNYJGHJXBLXWMMR-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.00
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)-2-methyl-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine (CID 55047540) is 5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine is Cc1nc(-c2cc(Br)ccc2F)c(N)n1CC(C)C.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is NYJGHJXBLXWMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-8(2)7-19-9(3)18-13(14(19)17)11-6-10(15)4-5-12(11)16/h4-6,8H,7,17H2,1-3H3.
What are the key properties of 5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine?
5-(5-bromo-2-fluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 326.21 g/mol, XLogP of 4.00, 3 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)-2-methyl-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 55047540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).