5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole

C20H19BrFN3 — CID 82561956

IUPAC5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(Cc3nccn3Cc3ccc(F)c(Br)c3)ccc21
InChIInChI=1S/C20H19BrFN3/c1-24-8-6-16-10-14(3-5-19(16)24)12-20-23-7-9-25(20)13-15-2-4-18(22)17(21)11-15/h2-5,7,9-11H,6,8,12-13H2,1H3
InChIKeyFBLYQZDDMKSING-UHFFFAOYSA-N
MW400.30 g/mol
LogP4.42
Rot. Bonds4

About 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole

5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole (PubChem CID 82561956) has the molecular formula C20H19BrFN3 and a molecular weight of 400.30 g/mol. Its IUPAC name is 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
PubChem CID82561956
Molecular FormulaC20H19BrFN3
Molecular Weight400.30 g/mol
Exact Mass399.07
IUPAC Name5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(Cc3nccn3Cc3ccc(F)c(Br)c3)ccc21
InChIInChI=1S/C20H19BrFN3/c1-24-8-6-16-10-14(3-5-19(16)24)12-20-23-7-9-25(20)13-15-2-4-18(22)17(21)11-15/h2-5,7,9-11H,6,8,12-13H2,1H3
InChIKeyFBLYQZDDMKSING-UHFFFAOYSA-N
XLogP4.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole with MolForge

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Related Compounds

5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
CID 82561954
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
CID 82561916
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]imidazole
CID 82561944
2-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558825
N-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222547
1-[(3-bromo-4-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)imidazole
CID 82561760
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
[5-[(2-ethylimidazol-1-yl)methyl]-2-fluorophenyl]boronic acid
CID 54970735
3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560208
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
CID 82561855
1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
CID 82562137

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole?
The IUPAC name of 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole (CID 82561956) is 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole?
The canonical SMILES for 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole is CN1CCc2cc(Cc3nccn3Cc3ccc(F)c(Br)c3)ccc21.
What is the InChIKey of 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole?
The InChIKey is FBLYQZDDMKSING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3/c1-24-8-6-16-10-14(3-5-19(16)24)12-20-23-7-9-25(20)13-15-2-4-18(22)17(21)11-15/h2-5,7,9-11H,6,8,12-13H2,1H3.
What are the key properties of 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole?
5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole has a molecular weight of 400.30 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 82561956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).