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

C21H25BrN2O — CID 59715237

IUPAC2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole
SMILESCCC1CN=C(c2ccccc2CCc2cc(Br)ccc2OC)N1C
InChIInChI=1S/C21H25BrN2O/c1-4-18-14-23-21(24(18)2)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-13,18H,4,9-10,14H2,1-3H3
InChIKeyJJSYHNGOYNWENV-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.71
Rot. Bonds6

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

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole (PubChem CID 59715237) has the molecular formula C21H25BrN2O and a molecular weight of 401.35 g/mol. Its IUPAC name is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole
PubChem CID59715237
Molecular FormulaC21H25BrN2O
Molecular Weight401.35 g/mol
Exact Mass400.12
IUPAC Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole
SMILESCCC1CN=C(c2ccccc2CCc2cc(Br)ccc2OC)N1C
InChIInChI=1S/C21H25BrN2O/c1-4-18-14-23-21(24(18)2)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-13,18H,4,9-10,14H2,1-3H3
InChIKeyJJSYHNGOYNWENV-UHFFFAOYSA-N
XLogP4.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-1-methyl-4,5-dihydroimidazole
CID 11646449
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-chlorophenyl]-1-methyl-4,5-dihydroimidazole
CID 10223125
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole
CID 90994336
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole
CID 11495178
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
[2-[2-[(4E,6Z)-5-bromo-8-methoxy-3-methylideneocta-4,6-dienyl]phenyl]-3-methyl-4,5-dihydroimidazol-4-yl]methanol
CID 143153106
1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole
CID 11583340
1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine
CID 59715320
2-[2-[(5-bromo-2-methoxyphenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidin-1-ium
CID 143152922
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole (CID 59715237) is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole is CCC1CN=C(c2ccccc2CCc2cc(Br)ccc2OC)N1C.
What is the InChIKey of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole?
The InChIKey is JJSYHNGOYNWENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O/c1-4-18-14-23-21(24(18)2)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-13,18H,4,9-10,14H2,1-3H3.
What are the key properties of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole?
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole has a molecular weight of 401.35 g/mol, XLogP of 4.71, 6 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]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 59715237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).