1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine

C26H34BrFN4O — CID 59715320

IUPAC1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine
SMILESCOc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1CCCN1CCN(C)CC1
InChIInChI=1S/C26H34BrFN4O/c1-30-15-17-31(18-16-30)12-4-13-32-14-11-29-26(32)23-5-3-6-24(28)22(23)9-7-20-19-21(27)8-10-25(20)33-2/h3,5-6,8,10,19H,4,7,9,11-18H2,1-2H3
InChIKeyUZERYQJXMZFFOC-UHFFFAOYSA-N
MW517.49 g/mol
LogP4.08
Rot. Bonds9

About 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine

1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine (PubChem CID 59715320) has the molecular formula C26H34BrFN4O and a molecular weight of 517.49 g/mol. Its IUPAC name is 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine
PubChem CID59715320
Molecular FormulaC26H34BrFN4O
Molecular Weight517.49 g/mol
Exact Mass516.19
IUPAC Name1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine
SMILESCOc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1CCCN1CCN(C)CC1
InChIInChI=1S/C26H34BrFN4O/c1-30-15-17-31(18-16-30)12-4-13-32-14-11-29-26(32)23-5-3-6-24(28)22(23)9-7-20-19-21(27)8-10-25(20)33-2/h3,5-6,8,10,19H,4,7,9,11-18H2,1-2H3
InChIKeyUZERYQJXMZFFOC-UHFFFAOYSA-N
XLogP4.08
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole
CID 59715225
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-chlorophenyl]-1-methyl-4,5-dihydroimidazole
CID 10223125
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]phenyl]-1-methyl-4,5-dihydroimidazole
CID 11646449
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole
CID 11495178
tert-butyl 2-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]acetate
CID 59715428
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
1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole
CID 11583340
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-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-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 59715360

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine (CID 59715320) is 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine is COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1CCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine?
The InChIKey is UZERYQJXMZFFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34BrFN4O/c1-30-15-17-31(18-16-30)12-4-13-32-14-11-29-26(32)23-5-3-6-24(28)22(23)9-7-20-19-21(27)8-10-25(20)33-2/h3,5-6,8,10,19H,4,7,9,11-18H2,1-2H3.
What are the key properties of 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine?
1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine has a molecular weight of 517.49 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine is sourced from PubChem (CID 59715320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).