2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole

C17H16BrFN2 — CID 59715244

IUPAC2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc(Br)c(CCc2ccccc2C2=NCCN2)c1
InChIInChI=1S/C17H16BrFN2/c18-16-8-7-14(19)11-13(16)6-5-12-3-1-2-4-15(12)17-20-9-10-21-17/h1-4,7-8,11H,5-6,9-10H2,(H,20,21)
InChIKeyFMGQJXYPUGGZNH-UHFFFAOYSA-N
MW347.23 g/mol
LogP3.72
Rot. Bonds4

About 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole

2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 59715244) has the molecular formula C17H16BrFN2 and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID59715244
Molecular FormulaC17H16BrFN2
Molecular Weight347.23 g/mol
Exact Mass346.05
IUPAC Name2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc(Br)c(CCc2ccccc2C2=NCCN2)c1
InChIInChI=1S/C17H16BrFN2/c18-16-8-7-14(19)11-13(16)6-5-12-3-1-2-4-15(12)17-20-9-10-21-17/h1-4,7-8,11H,5-6,9-10H2,(H,20,21)
InChIKeyFMGQJXYPUGGZNH-UHFFFAOYSA-N
XLogP3.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole (CID 59715244) is 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole is Fc1ccc(Br)c(CCc2ccccc2C2=NCCN2)c1.
What is the InChIKey of 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is FMGQJXYPUGGZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2/c18-16-8-7-14(19)11-13(16)6-5-12-3-1-2-4-15(12)17-20-9-10-21-17/h1-4,7-8,11H,5-6,9-10H2,(H,20,21).
What are the key properties of 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 347.23 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59715244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).