5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid

C27H24Br2N2O3 — CID 170941551

IUPAC5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid
SMILESCOc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2CCCCC(=O)O)cc1
InChIInChI=1S/C27H24Br2N2O3/c1-34-23-15-9-20(10-16-23)27-30-25(18-5-11-21(28)12-6-18)26(19-7-13-22(29)14-8-19)31(27)17-3-2-4-24(32)33/h5-16H,2-4,17H2,1H3,(H,32,33)
InChIKeyWXRFNXDSQNYWNE-UHFFFAOYSA-N
MW584.31 g/mol
LogP7.67
Rot. Bonds9

About 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid

5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid (PubChem CID 170941551) has the molecular formula C27H24Br2N2O3 and a molecular weight of 584.31 g/mol. Its IUPAC name is 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid
PubChem CID170941551
Molecular FormulaC27H24Br2N2O3
Molecular Weight584.31 g/mol
Exact Mass582.02
IUPAC Name5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid
SMILESCOc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2CCCCC(=O)O)cc1
InChIInChI=1S/C27H24Br2N2O3/c1-34-23-15-9-20(10-16-23)27-30-25(18-5-11-21(28)12-6-18)26(19-7-13-22(29)14-8-19)31(27)17-3-2-4-24(32)33/h5-16H,2-4,17H2,1H3,(H,32,33)
InChIKeyWXRFNXDSQNYWNE-UHFFFAOYSA-N
XLogP7.67
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.31
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
CID 22916430
2,4,5-tris(4-bromophenyl)-1-hexylimidazole
CID 171717136
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610
4-[4-(2,4,5-triphenylimidazol-1-yl)butoxy]benzoic acid
CID 22916453
2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902
dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
CID 70277555
4-(5-methoxy-2-methylbenzimidazol-1-yl)butanoic acid
CID 83418426
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
2-phenyl-5-[[2,4,5-tris(4-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 174813442
6-[2-[4,5-bis(4-methoxyphenyl)-2-methylimidazol-1-yl]ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2-methyl-4,5-diphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-[2-(2,4,5-triphenylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 91591174
1-(2-carboxyethyl)-5-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 82209012

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid?
The IUPAC name of 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid (CID 170941551) is 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid?
The canonical SMILES for 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid is COc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2CCCCC(=O)O)cc1.
What is the InChIKey of 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid?
The InChIKey is WXRFNXDSQNYWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Br2N2O3/c1-34-23-15-9-20(10-16-23)27-30-25(18-5-11-21(28)12-6-18)26(19-7-13-22(29)14-8-19)31(27)17-3-2-4-24(32)33/h5-16H,2-4,17H2,1H3,(H,32,33).
What are the key properties of 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid?
5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid has a molecular weight of 584.31 g/mol, XLogP of 7.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid is sourced from PubChem (CID 170941551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).