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

C12H13BrFN3 — CID 55048064

IUPAC5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
SMILESCCn1c(C)nc(-c2ccc(Br)cc2F)c1N
InChIInChI=1S/C12H13BrFN3/c1-3-17-7(2)16-11(12(17)15)9-5-4-8(13)6-10(9)14/h4-6H,3,15H2,1-2H3
InChIKeySOMVFQMIYKBDOF-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.36
Rot. Bonds2

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

5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine (PubChem CID 55048064) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
PubChem CID55048064
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
SMILESCCn1c(C)nc(-c2ccc(Br)cc2F)c1N
InChIInChI=1S/C12H13BrFN3/c1-3-17-7(2)16-11(12(17)15)9-5-4-8(13)6-10(9)14/h4-6H,3,15H2,1-2H3
InChIKeySOMVFQMIYKBDOF-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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Related Compounds

5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
CID 114060782
3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine
CID 83216680
5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
CID 63467465
5-(2,4-difluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 62224859
2-(4-bromo-2-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618967
4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082559
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
CID 65096402
5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
CID 113366378
2-(4-bromo-2-fluorophenyl)-8-chloroimidazo[1,2-a]pyridin-3-amine
CID 103095023
2-(4-bromo-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617916
5-(5-chloro-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine
CID 114859651

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine (CID 55048064) is 5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine is CCn1c(C)nc(-c2ccc(Br)cc2F)c1N.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine?
The InChIKey is SOMVFQMIYKBDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-3-17-7(2)16-11(12(17)15)9-5-4-8(13)6-10(9)14/h4-6H,3,15H2,1-2H3.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine?
5-(4-bromo-2-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-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine is sourced from PubChem (CID 55048064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).