(E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol

C25H22N2O — CID 11417255

IUPAC(E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol
SMILESOC/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H22N2O/c28-18-10-17-24-19-27(20-26-24)25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-17,19-20,28H,18H2/b17-10+
InChIKeyBUWJJXZUFPISQE-LICLKQGHSA-N
MW366.46 g/mol
LogP4.73
Rot. Bonds6

About (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol

(E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol (PubChem CID 11417255) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol
PubChem CID11417255
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name(E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol
SMILESOC/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H22N2O/c28-18-10-17-24-19-27(20-26-24)25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-17,19-20,28H,18H2/b17-10+
InChIKeyBUWJJXZUFPISQE-LICLKQGHSA-N
XLogP4.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.73
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 (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol (CID 11417255) is (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol is OC/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol?
The InChIKey is BUWJJXZUFPISQE-LICLKQGHSA-N. The full InChI is InChI=1S/C25H22N2O/c28-18-10-17-24-19-27(20-26-24)25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-17,19-20,28H,18H2/b17-10+.
What are the key properties of (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol?
(E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol has a molecular weight of 366.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 11417255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).