5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine

C13H15BrFN3 — CID 55047536

IUPAC5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine
SMILESCCCn1c(C)nc(-c2ccc(Br)cc2F)c1N
InChIInChI=1S/C13H15BrFN3/c1-3-6-18-8(2)17-12(13(18)16)10-5-4-9(14)7-11(10)15/h4-5,7H,3,6,16H2,1-2H3
InChIKeyNFOQYBFOJKLBOU-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.75
Rot. Bonds3

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

5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine (PubChem CID 55047536) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine
PubChem CID55047536
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine
SMILESCCCn1c(C)nc(-c2ccc(Br)cc2F)c1N
InChIInChI=1S/C13H15BrFN3/c1-3-6-18-8(2)17-12(13(18)16)10-5-4-9(14)7-11(10)15/h4-5,7H,3,6,16H2,1-2H3
InChIKeyNFOQYBFOJKLBOU-UHFFFAOYSA-N
XLogP3.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine (CID 55047536) is 5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine is CCCn1c(C)nc(-c2ccc(Br)cc2F)c1N.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine?
The InChIKey is NFOQYBFOJKLBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-3-6-18-8(2)17-12(13(18)16)10-5-4-9(14)7-11(10)15/h4-5,7H,3,6,16H2,1-2H3.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine?
5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine has a molecular weight of 312.19 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine is sourced from PubChem (CID 55047536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).