2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid

C29H30N2O4 — CID 139614640

IUPAC2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid
SMILESCc1ccc(-n2c(OCCCCCOCC(=O)O)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H30N2O4/c1-22-15-17-25(18-16-22)31-28(24-13-7-3-8-14-24)27(23-11-5-2-6-12-23)30-29(31)35-20-10-4-9-19-34-21-26(32)33/h2-3,5-8,11-18H,4,9-10,19-21H2,1H3,(H,32,33)
InChIKeyTVCXSUHNSBLHPR-UHFFFAOYSA-N
MW470.57 g/mol
LogP6.17
Rot. Bonds12

About 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid

2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid (PubChem CID 139614640) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid.

Molecular Properties

Compound Name2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid
PubChem CID139614640
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid
SMILESCc1ccc(-n2c(OCCCCCOCC(=O)O)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H30N2O4/c1-22-15-17-25(18-16-22)31-28(24-13-7-3-8-14-24)27(23-11-5-2-6-12-23)30-29(31)35-20-10-4-9-19-34-21-26(32)33/h2-3,5-8,11-18H,4,9-10,19-21H2,1H3,(H,32,33)
InChIKeyTVCXSUHNSBLHPR-UHFFFAOYSA-N
XLogP6.17
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium 8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoic acid
CID 18957381
8-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoic acid
CID 13279640
sodium 4-(1,4,5-triphenylimidazol-2-yl)oxybutanoate
CID 23693749
2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid
CID 3472388
2-[6-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid
CID 139614630
8-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]oxyoctanoic acid
CID 139614614
2-[6-[5-(3-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]hexoxy]acetic acid
CID 139614652
4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid
CID 57090206
2-[2-(4-methylphenoxy)ethylsulfanyl]-1,4,5-triphenylimidazole
CID 5228080
2-[3,3,4,4-tetradeuterio-4-[(5,6-diphenylpyrazin-2-yl)-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)amino]butoxy]acetic acid
CID 50940050
1-(4-methylphenyl)-4-[[4-(1,4,5-triphenylimidazol-2-yl)phenoxy]methyl]triazole
CID 133064314
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid?
The IUPAC name of 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid (CID 139614640) is 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid.
What is the SMILES notation for 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid?
The canonical SMILES for 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid is Cc1ccc(-n2c(OCCCCCOCC(=O)O)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid?
The InChIKey is TVCXSUHNSBLHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-22-15-17-25(18-16-22)31-28(24-13-7-3-8-14-24)27(23-11-5-2-6-12-23)30-29(31)35-20-10-4-9-19-34-21-26(32)33/h2-3,5-8,11-18H,4,9-10,19-21H2,1H3,(H,32,33).
What are the key properties of 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid?
2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid has a molecular weight of 470.57 g/mol, XLogP of 6.17, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxypentoxy]acetic acid is sourced from PubChem (CID 139614640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).