1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole

C13H16BrFN2 — CID 153296396

IUPAC1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole
SMILESCCC1=NC(CC)CN1c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2/c1-3-9-8-17(13(4-2)16-9)10-5-6-11(14)12(15)7-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyIHDKYMMAFKKFPW-UHFFFAOYSA-N
MW299.19 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole

1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole (PubChem CID 153296396) has the molecular formula C13H16BrFN2 and a molecular weight of 299.19 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole
PubChem CID153296396
Molecular FormulaC13H16BrFN2
Molecular Weight299.19 g/mol
Exact Mass298.05
IUPAC Name1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole
SMILESCCC1=NC(CC)CN1c1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN2/c1-3-9-8-17(13(4-2)16-9)10-5-6-11(14)12(15)7-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyIHDKYMMAFKKFPW-UHFFFAOYSA-N
XLogP4.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole (CID 153296396) is 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole is CCC1=NC(CC)CN1c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole?
The InChIKey is IHDKYMMAFKKFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2/c1-3-9-8-17(13(4-2)16-9)10-5-6-11(14)12(15)7-10/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole?
1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole has a molecular weight of 299.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2,4-diethyl-4,5-dihydroimidazole is sourced from PubChem (CID 153296396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).