5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine

C14H19BrFN3 — CID 79498242

IUPAC5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFN3/c1-9(2)7-19-13(17)18-8-14(19,3)10-4-5-12(16)11(15)6-10/h4-6,9H,7-8H2,1-3H3,(H2,17,18)
InChIKeyYSGBHFWNPNRQBT-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.09
Rot. Bonds3

About 5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine

5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine (PubChem CID 79498242) has the molecular formula C14H19BrFN3 and a molecular weight of 328.23 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
PubChem CID79498242
Molecular FormulaC14H19BrFN3
Molecular Weight328.23 g/mol
Exact Mass327.07
IUPAC Name5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFN3/c1-9(2)7-19-13(17)18-8-14(19,3)10-4-5-12(16)11(15)6-10/h4-6,9H,7-8H2,1-3H3,(H2,17,18)
InChIKeyYSGBHFWNPNRQBT-UHFFFAOYSA-N
XLogP3.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.09
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)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine (CID 79498242) is 5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine is CC(C)CN1C(N)=NCC1(C)c1ccc(F)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The InChIKey is YSGBHFWNPNRQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3/c1-9(2)7-19-13(17)18-8-14(19,3)10-4-5-12(16)11(15)6-10/h4-6,9H,7-8H2,1-3H3,(H2,17,18).
What are the key properties of 5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
5-(3-bromo-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine has a molecular weight of 328.23 g/mol, XLogP of 3.09, 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)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79498242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).