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

C14H17BrFN3 — CID 55048634

IUPAC5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2ccc(F)c(Br)c2)c(N)n1C(C)C
InChIInChI=1S/C14H17BrFN3/c1-4-12-18-13(14(17)19(12)8(2)3)9-5-6-11(16)10(15)7-9/h5-8H,4,17H2,1-3H3
InChIKeyDPIZKHIQWGOFRE-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.18
Rot. Bonds3

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

5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine (PubChem CID 55048634) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
PubChem CID55048634
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2ccc(F)c(Br)c2)c(N)n1C(C)C
InChIInChI=1S/C14H17BrFN3/c1-4-12-18-13(14(17)19(12)8(2)3)9-5-6-11(16)10(15)7-9/h5-8H,4,17H2,1-3H3
InChIKeyDPIZKHIQWGOFRE-UHFFFAOYSA-N
XLogP4.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine (CID 55048634) is 5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine is CCc1nc(-c2ccc(F)c(Br)c2)c(N)n1C(C)C.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is DPIZKHIQWGOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-4-12-18-13(14(17)19(12)8(2)3)9-5-6-11(16)10(15)7-9/h5-8H,4,17H2,1-3H3.
What are the key properties of 5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 326.21 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 55048634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).