2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate

C25H21BrN2O2 — CID 20821454

IUPAC2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(-c2ccccc2Br)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21BrN2O2/c1-18(29)30-17-16-28-24(20-12-6-3-7-13-20)23(19-10-4-2-5-11-19)27-25(28)21-14-8-9-15-22(21)26/h2-15H,16-17H2,1H3
InChIKeyWSAZJDTWBUHFOX-UHFFFAOYSA-N
MW461.36 g/mol
LogP6.21
Rot. Bonds6

About 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate

2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate (PubChem CID 20821454) has the molecular formula C25H21BrN2O2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate
PubChem CID20821454
Molecular FormulaC25H21BrN2O2
Molecular Weight461.36 g/mol
Exact Mass460.08
IUPAC Name2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(-c2ccccc2Br)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21BrN2O2/c1-18(29)30-17-16-28-24(20-12-6-3-7-13-20)23(19-10-4-2-5-11-19)27-25(28)21-14-8-9-15-22(21)26/h2-15H,16-17H2,1H3
InChIKeyWSAZJDTWBUHFOX-UHFFFAOYSA-N
XLogP6.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 20577238
2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]acetic acid;2-[3-[2-[1-(carboxymethyl)-4,5-diphenylimidazol-2-yl]phenyl]anilino]acetic acid;methane
CID 159380134
2-[2-[2-(3-aminophenyl)phenyl]-4,5-diphenylimidazol-1-yl]ethanol
CID 20577222
3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline
CID 20577315
7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
CID 22916430
2-[3-[2-[1-(2-fluoroethyl)-4,5-diphenylimidazol-2-yl]phenyl]phenoxy]acetic acid
CID 20577249
4-[4-(2,4,5-triphenylimidazol-1-yl)butoxy]benzoic acid
CID 22916453
dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
CID 70277555
7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one
CID 20586116
2-[(3-bromo-2,4,5-triphenylpyrrol-1-yl)methoxy]ethyl acetate
CID 512927
ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
CID 2816996
2-[2-(2,4-dimethoxyphenyl)-4,5-diphenylimidazol-1-yl]ethanol
CID 122385213

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate?
The IUPAC name of 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate (CID 20821454) is 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate.
What is the SMILES notation for 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate?
The canonical SMILES for 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate is CC(=O)OCCn1c(-c2ccccc2Br)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate?
The InChIKey is WSAZJDTWBUHFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O2/c1-18(29)30-17-16-28-24(20-12-6-3-7-13-20)23(19-10-4-2-5-11-19)27-25(28)21-14-8-9-15-22(21)26/h2-15H,16-17H2,1H3.
What are the key properties of 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate?
2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate has a molecular weight of 461.36 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-4,5-diphenylimidazol-1-yl]ethyl acetate is sourced from PubChem (CID 20821454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).