2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride

C18H19BrClFN2O — CID 90488979

IUPAC2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1.Cl
InChIInChI=1S/C18H18BrFN2O.ClH/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18;/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22);1H
InChIKeyKZUMGPQDDCBFBF-UHFFFAOYSA-N
MW413.72 g/mol
LogP4.15
Rot. Bonds5

About 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 90488979) has the molecular formula C18H19BrClFN2O and a molecular weight of 413.72 g/mol. Its IUPAC name is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID90488979
Molecular FormulaC18H19BrClFN2O
Molecular Weight413.72 g/mol
Exact Mass412.04
IUPAC Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1.Cl
InChIInChI=1S/C18H18BrFN2O.ClH/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18;/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22);1H
InChIKeyKZUMGPQDDCBFBF-UHFFFAOYSA-N
XLogP4.15
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole
CID 59715225
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 59715386
2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole
CID 59715230
2-[2-[2-(2,5-dimethoxyphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 11536881
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
CID 89167638
CID 89167638
tert-butyl-[1-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]ethyl]naphthalen-2-yl]oxy-dimethylsilane
CID 11612095
2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 160521663
2-[2-[2-(6-bromo-2-methoxynaphthalen-1-yl)ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole;2-[2-[2-[5-bromo-2-(2-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole;2-[2-[2-[5-bromo-2-(3-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole;2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole;2-[3-chloro-2-[2-(4-fluoronaphthalen-1-yl)ethyl]phenyl]-4,5-dihydro-1H-imidazole;2-[3-chloro-2-[2-(2-phenylphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 158551300
2-[2-[(5-bromo-2-methylphenyl)methylsulfanyl]-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 20628409
2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 161355740

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 90488979) is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride is COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1.Cl.
What is the InChIKey of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is KZUMGPQDDCBFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O.ClH/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18;/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22);1H.
What are the key properties of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 413.72 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 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]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 90488979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).