2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole

C24H24BrFN2 — CID 59715360

IUPAC2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole
SMILESCC(C)N1CCN=C1c1cccc(F)c1CCc1cc(Br)cc2ccccc12
InChIInChI=1S/C24H24BrFN2/c1-16(2)28-13-12-27-24(28)22-8-5-9-23(26)21(22)11-10-18-15-19(25)14-17-6-3-4-7-20(17)18/h3-9,14-16H,10-13H2,1-2H3
InChIKeyVFQJDOVAUKPWRL-UHFFFAOYSA-N
MW439.37 g/mol
LogP6.00
Rot. Bonds5

About 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole

2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole (PubChem CID 59715360) has the molecular formula C24H24BrFN2 and a molecular weight of 439.37 g/mol. Its IUPAC name is 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole
PubChem CID59715360
Molecular FormulaC24H24BrFN2
Molecular Weight439.37 g/mol
Exact Mass438.11
IUPAC Name2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole
SMILESCC(C)N1CCN=C1c1cccc(F)c1CCc1cc(Br)cc2ccccc12
InChIInChI=1S/C24H24BrFN2/c1-16(2)28-13-12-27-24(28)22-8-5-9-23(26)21(22)11-10-18-15-19(25)14-17-6-3-4-7-20(17)18/h3-9,14-16H,10-13H2,1-2H3
InChIKeyVFQJDOVAUKPWRL-UHFFFAOYSA-N
XLogP6.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.37
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole?
The IUPAC name of 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole (CID 59715360) is 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole?
The canonical SMILES for 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole is CC(C)N1CCN=C1c1cccc(F)c1CCc1cc(Br)cc2ccccc12.
What is the InChIKey of 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole?
The InChIKey is VFQJDOVAUKPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrFN2/c1-16(2)28-13-12-27-24(28)22-8-5-9-23(26)21(22)11-10-18-15-19(25)14-17-6-3-4-7-20(17)18/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole?
2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole has a molecular weight of 439.37 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole is sourced from PubChem (CID 59715360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).