7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid

C28H28N2O2 — CID 22916430

IUPAC7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H28N2O2/c31-25(32)20-12-1-2-13-21-30-27(23-16-8-4-9-17-23)26(22-14-6-3-7-15-22)29-28(30)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2,(H,31,32)
InChIKeyZQFUJQZVCBPDPA-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.92
Rot. Bonds10

About 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid

7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid (PubChem CID 22916430) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
PubChem CID22916430
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H28N2O2/c31-25(32)20-12-1-2-13-21-30-27(23-16-8-4-9-17-23)26(22-14-6-3-7-15-22)29-28(30)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2,(H,31,32)
InChIKeyZQFUJQZVCBPDPA-UHFFFAOYSA-N
XLogP6.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
CID 70277555
5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid
CID 170941551
7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one
CID 20586116
4-[4-(2,4,5-triphenylimidazol-1-yl)butoxy]benzoic acid
CID 22916453
ethyl 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanoate
CID 59926126
7-(4,5-diphenyltriazol-2-yl)heptanoic acid
CID 71344331
8-(4,5-diphenyltriazol-1-yl)octanoic acid
CID 22916407
6-(3,4,5-triphenylpyrazol-1-yl)hexanoic acid
CID 15725723
5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid
CID 18537524
4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanoic acid
CID 42725662
2,4,5-tris(4-bromophenyl)-1-hexylimidazole
CID 171717136
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903

Frequently Asked Questions

What is the IUPAC name of 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid?
The IUPAC name of 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid (CID 22916430) is 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid.
What is the SMILES notation for 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid?
The canonical SMILES for 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid is O=C(O)CCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid?
The InChIKey is ZQFUJQZVCBPDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c31-25(32)20-12-1-2-13-21-30-27(23-16-8-4-9-17-23)26(22-14-6-3-7-15-22)29-28(30)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2,(H,31,32).
What are the key properties of 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid?
7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid has a molecular weight of 424.54 g/mol, XLogP of 6.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid is sourced from PubChem (CID 22916430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).