2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole

C19H20BrFN2O — CID 59715225

IUPAC2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole
SMILESCOc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1C
InChIInChI=1S/C19H20BrFN2O/c1-23-11-10-22-19(23)16-4-3-5-17(21)15(16)8-6-13-12-14(20)7-9-18(13)24-2/h3-5,7,9,12H,6,8,10-11H2,1-2H3
InChIKeyJBBZOBCDMOGRAH-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.07
Rot. Bonds5

About 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole (PubChem CID 59715225) has the molecular formula C19H20BrFN2O and a molecular weight of 391.28 g/mol. Its IUPAC name is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole
PubChem CID59715225
Molecular FormulaC19H20BrFN2O
Molecular Weight391.28 g/mol
Exact Mass390.07
IUPAC Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole
SMILESCOc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1C
InChIInChI=1S/C19H20BrFN2O/c1-23-11-10-22-19(23)16-4-3-5-17(21)15(16)8-6-13-12-14(20)7-9-18(13)24-2/h3-5,7,9,12H,6,8,10-11H2,1-2H3
InChIKeyJBBZOBCDMOGRAH-UHFFFAOYSA-N
XLogP4.07
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-methyl-4,5-dihydroimidazole
CID 10223125
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-1-methyl-4,5-dihydroimidazole
CID 11646449
1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine
CID 59715320
1-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]-2-(2,4,5-trifluorophenyl)ethanone
CID 177313747
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 90488979
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 59715386
tert-butyl 2-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]acetate
CID 59715428
2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 59715360
2-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]acetic acid;tert-butyl 2-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]acetate;hydrochloride
CID 158289608
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole
CID 11495178
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970728
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole
CID 59715237

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole (CID 59715225) is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole is COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1C.
What is the InChIKey of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole?
The InChIKey is JBBZOBCDMOGRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O/c1-23-11-10-22-19(23)16-4-3-5-17(21)15(16)8-6-13-12-14(20)7-9-18(13)24-2/h3-5,7,9,12H,6,8,10-11H2,1-2H3.
What are the key properties of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole?
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole has a molecular weight of 391.28 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 59715225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).