5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine

C13H15BrFN3 — CID 55047729

IUPAC5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine
SMILESCc1nc(-c2cc(Br)ccc2F)c(N)n1C(C)C
InChIInChI=1S/C13H15BrFN3/c1-7(2)18-8(3)17-12(13(18)16)10-6-9(14)4-5-11(10)15/h4-7H,16H2,1-3H3
InChIKeyKDSWNOFWVWHIQT-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.92
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine

5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine (PubChem CID 55047729) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine
PubChem CID55047729
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine
SMILESCc1nc(-c2cc(Br)ccc2F)c(N)n1C(C)C
InChIInChI=1S/C13H15BrFN3/c1-7(2)18-8(3)17-12(13(18)16)10-6-9(14)4-5-11(10)15/h4-7H,16H2,1-3H3
InChIKeyKDSWNOFWVWHIQT-UHFFFAOYSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.92
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-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine (CID 55047729) is 5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine is Cc1nc(-c2cc(Br)ccc2F)c(N)n1C(C)C.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is KDSWNOFWVWHIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-7(2)18-8(3)17-12(13(18)16)10-6-9(14)4-5-11(10)15/h4-7H,16H2,1-3H3.
What are the key properties of 5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine?
5-(5-bromo-2-fluorophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 312.19 g/mol, XLogP of 3.92, 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)-2-methyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 55047729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).