5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine

C12H13BrFN3 — CID 114060782

IUPAC5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
SMILESCCn1c(C)nc(-c2ccc(F)cc2Br)c1N
InChIInChI=1S/C12H13BrFN3/c1-3-17-7(2)16-11(12(17)15)9-5-4-8(14)6-10(9)13/h4-6H,3,15H2,1-2H3
InChIKeyZZSNMDIYNPKCBD-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.36
Rot. Bonds2

About 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine

5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine (PubChem CID 114060782) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
PubChem CID114060782
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
SMILESCCn1c(C)nc(-c2ccc(F)cc2Br)c1N
InChIInChI=1S/C12H13BrFN3/c1-3-17-7(2)16-11(12(17)15)9-5-4-8(14)6-10(9)13/h4-6H,3,15H2,1-2H3
InChIKeyZZSNMDIYNPKCBD-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine (CID 114060782) is 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine is CCn1c(C)nc(-c2ccc(F)cc2Br)c1N.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine?
The InChIKey is ZZSNMDIYNPKCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-3-17-7(2)16-11(12(17)15)9-5-4-8(14)6-10(9)13/h4-6H,3,15H2,1-2H3.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine?
5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine has a molecular weight of 298.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine is sourced from PubChem (CID 114060782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).