8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid

C24H28N2O3 — CID 139614614

IUPAC8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid
SMILESCc1ccc(-n2c(-c3ccccc3)cnc2OCCCCCCCC(=O)O)cc1
InChIInChI=1S/C24H28N2O3/c1-19-13-15-21(16-14-19)26-22(20-10-6-5-7-11-20)18-25-24(26)29-17-9-4-2-3-8-12-23(27)28/h5-7,10-11,13-16,18H,2-4,8-9,12,17H2,1H3,(H,27,28)
InChIKeyOUQJWPYXOJNPNT-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.65
Rot. Bonds11

About 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid

8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid (PubChem CID 139614614) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid.

Molecular Properties

Compound Name8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid
PubChem CID139614614
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid
SMILESCc1ccc(-n2c(-c3ccccc3)cnc2OCCCCCCCC(=O)O)cc1
InChIInChI=1S/C24H28N2O3/c1-19-13-15-21(16-14-19)26-22(20-10-6-5-7-11-20)18-25-24(26)29-17-9-4-2-3-8-12-23(27)28/h5-7,10-11,13-16,18H,2-4,8-9,12,17H2,1H3,(H,27,28)
InChIKeyOUQJWPYXOJNPNT-UHFFFAOYSA-N
XLogP5.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoic acid
CID 18957381
2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid
CID 139614640
8-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid
CID 13279640
2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid
CID 139614630
dodecanedioic acid;1,4-xylene
CID 66586315
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
2-[6-[5-(3-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid
CID 139614652
6-[2-[5-[4-(furan-2-yl)phenyl]-1-methylimidazol-2-yl]phenoxy]hexanoic acid
CID 86281959
6-[2-(benzenesulfonyl)-3-(4-methylphenyl)benzimidazol-5-yl]oxyhexanoic acid
CID 22397874
9-phenoxynonanoic acid
CID 15887638
7-(2-methylphenoxy)heptanoic acid
CID 92930643
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid?
The IUPAC name of 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid (CID 139614614) is 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid.
What is the SMILES notation for 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid?
The canonical SMILES for 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid is Cc1ccc(-n2c(-c3ccccc3)cnc2OCCCCCCCC(=O)O)cc1.
What is the InChIKey of 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid?
The InChIKey is OUQJWPYXOJNPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-19-13-15-21(16-14-19)26-22(20-10-6-5-7-11-20)18-25-24(26)29-17-9-4-2-3-8-12-23(27)28/h5-7,10-11,13-16,18H,2-4,8-9,12,17H2,1H3,(H,27,28).
What are the key properties of 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid?
8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid has a molecular weight of 392.50 g/mol, XLogP of 5.65, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid is sourced from PubChem (CID 139614614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).