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

C25H22N2O — CID 166068296

IUPAC1-(3-tritylimidazol-4-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2O/c1-2-24(28)23-18-26-19-27(23)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-19,24,28H,1H2
InChIKeyFVDFYXZNFUSKCW-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.94
Rot. Bonds6

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

1-(3-tritylimidazol-4-yl)prop-2-en-1-ol (PubChem CID 166068296) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(3-tritylimidazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(3-tritylimidazol-4-yl)prop-2-en-1-ol
PubChem CID166068296
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1-(3-tritylimidazol-4-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2O/c1-2-24(28)23-18-26-19-27(23)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-19,24,28H,1H2
InChIKeyFVDFYXZNFUSKCW-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tritylimidazol-4-yl)prop-2-en-1-ol?
The IUPAC name of 1-(3-tritylimidazol-4-yl)prop-2-en-1-ol (CID 166068296) is 1-(3-tritylimidazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(3-tritylimidazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(3-tritylimidazol-4-yl)prop-2-en-1-ol is C=CC(O)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-tritylimidazol-4-yl)prop-2-en-1-ol?
The InChIKey is FVDFYXZNFUSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-2-24(28)23-18-26-19-27(23)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-19,24,28H,1H2.
What are the key properties of 1-(3-tritylimidazol-4-yl)prop-2-en-1-ol?
1-(3-tritylimidazol-4-yl)prop-2-en-1-ol has a molecular weight of 366.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tritylimidazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 166068296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).