4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid

C26H24N2O3 — CID 57090206

IUPAC4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid
SMILESCC(CCC(=O)O)Oc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-19(17-18-23(29)30)31-26-27-24(20-11-5-2-6-12-20)25(21-13-7-3-8-14-21)28(26)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3,(H,29,30)
InChIKeyJKJDAQXIBOQHJD-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.84
Rot. Bonds8

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

4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid (PubChem CID 57090206) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid.

Molecular Properties

Compound Name4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid
PubChem CID57090206
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid
SMILESCC(CCC(=O)O)Oc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-19(17-18-23(29)30)31-26-27-24(20-11-5-2-6-12-20)25(21-13-7-3-8-14-21)28(26)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3,(H,29,30)
InChIKeyJKJDAQXIBOQHJD-UHFFFAOYSA-N
XLogP5.84
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid?
The IUPAC name of 4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid (CID 57090206) is 4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid.
What is the SMILES notation for 4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid?
The canonical SMILES for 4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid is CC(CCC(=O)O)Oc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid?
The InChIKey is JKJDAQXIBOQHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-19(17-18-23(29)30)31-26-27-24(20-11-5-2-6-12-20)25(21-13-7-3-8-14-21)28(26)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3,(H,29,30).
What are the key properties of 4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid?
4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid has a molecular weight of 412.49 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,5-triphenylimidazol-2-yl)oxypentanoic acid is sourced from PubChem (CID 57090206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).