acetic acid;1-tritylimidazole

C24H22N2O2 — CID 67535266

IUPACacetic acid;1-tritylimidazole
SMILESCC(=O)O.c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C22H18N2.C2H4O2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;1-2(3)4/h1-18H;1H3,(H,3,4)
InChIKeyMYEGUJUQWBFLML-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.81
Rot. Bonds4

About acetic acid;1-tritylimidazole

acetic acid;1-tritylimidazole (PubChem CID 67535266) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is acetic acid;1-tritylimidazole.

Molecular Properties

Compound Nameacetic acid;1-tritylimidazole
PubChem CID67535266
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Nameacetic acid;1-tritylimidazole
SMILESCC(=O)O.c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C22H18N2.C2H4O2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;1-2(3)4/h1-18H;1H3,(H,3,4)
InChIKeyMYEGUJUQWBFLML-UHFFFAOYSA-N
XLogP4.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-tritylimidazole?
The IUPAC name of acetic acid;1-tritylimidazole (CID 67535266) is acetic acid;1-tritylimidazole.
What is the SMILES notation for acetic acid;1-tritylimidazole?
The canonical SMILES for acetic acid;1-tritylimidazole is CC(=O)O.c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.
What is the InChIKey of acetic acid;1-tritylimidazole?
The InChIKey is MYEGUJUQWBFLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2.C2H4O2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;1-2(3)4/h1-18H;1H3,(H,3,4).
What are the key properties of acetic acid;1-tritylimidazole?
acetic acid;1-tritylimidazole has a molecular weight of 370.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-tritylimidazole is sourced from PubChem (CID 67535266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).