(1-tritylimidazol-4-yl)methyl acetate

C25H22N2O2 — CID 10762461

IUPAC(1-tritylimidazol-4-yl)methyl acetate
SMILESCC(=O)OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H22N2O2/c1-20(28)29-18-24-17-27(19-26-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,19H,18H2,1H3
InChIKeyYNVRNJRVLZDDPH-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.79
Rot. Bonds6

About (1-tritylimidazol-4-yl)methyl acetate

(1-tritylimidazol-4-yl)methyl acetate (PubChem CID 10762461) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is (1-tritylimidazol-4-yl)methyl acetate.

Molecular Properties

Compound Name(1-tritylimidazol-4-yl)methyl acetate
PubChem CID10762461
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name(1-tritylimidazol-4-yl)methyl acetate
SMILESCC(=O)OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H22N2O2/c1-20(28)29-18-24-17-27(19-26-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,19H,18H2,1H3
InChIKeyYNVRNJRVLZDDPH-UHFFFAOYSA-N
XLogP4.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1-tritylimidazol-4-yl)methyl acetate?
The IUPAC name of (1-tritylimidazol-4-yl)methyl acetate (CID 10762461) is (1-tritylimidazol-4-yl)methyl acetate.
What is the SMILES notation for (1-tritylimidazol-4-yl)methyl acetate?
The canonical SMILES for (1-tritylimidazol-4-yl)methyl acetate is CC(=O)OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (1-tritylimidazol-4-yl)methyl acetate?
The InChIKey is YNVRNJRVLZDDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-20(28)29-18-24-17-27(19-26-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,19H,18H2,1H3.
What are the key properties of (1-tritylimidazol-4-yl)methyl acetate?
(1-tritylimidazol-4-yl)methyl acetate has a molecular weight of 382.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tritylimidazol-4-yl)methyl acetate is sourced from PubChem (CID 10762461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).