5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine

C15H15BrFN3 — CID 81441072

IUPAC5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine
SMILESNc1c(-c2ccc(Br)c(F)c2)nc(C2CC2)n1C1CC1
InChIInChI=1S/C15H15BrFN3/c16-11-6-3-9(7-12(11)17)13-14(18)20(10-4-5-10)15(19-13)8-1-2-8/h3,6-8,10H,1-2,4-5,18H2
InChIKeyWANJXFRUTTVYCY-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.25
Rot. Bonds3

About 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine

5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine (PubChem CID 81441072) has the molecular formula C15H15BrFN3 and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine
PubChem CID81441072
Molecular FormulaC15H15BrFN3
Molecular Weight336.21 g/mol
Exact Mass335.04
IUPAC Name5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine
SMILESNc1c(-c2ccc(Br)c(F)c2)nc(C2CC2)n1C1CC1
InChIInChI=1S/C15H15BrFN3/c16-11-6-3-9(7-12(11)17)13-14(18)20(10-4-5-10)15(19-13)8-1-2-8/h3,6-8,10H,1-2,4-5,18H2
InChIKeyWANJXFRUTTVYCY-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine (CID 81441072) is 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine is Nc1c(-c2ccc(Br)c(F)c2)nc(C2CC2)n1C1CC1.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine?
The InChIKey is WANJXFRUTTVYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3/c16-11-6-3-9(7-12(11)17)13-14(18)20(10-4-5-10)15(19-13)8-1-2-8/h3,6-8,10H,1-2,4-5,18H2.
What are the key properties of 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine?
5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine has a molecular weight of 336.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)-2,3-dicyclopropylimidazol-4-amine is sourced from PubChem (CID 81441072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).