2-(1-tritylimidazol-2-yl)ethanol

C24H22N2O — CID 22120146

IUPAC2-(1-tritylimidazol-2-yl)ethanol
SMILESOCCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c27-19-16-23-25-17-18-26(23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17-18,27H,16,19H2
InChIKeyHQYKULWBRIEZMO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.26
Rot. Bonds6

About 2-(1-tritylimidazol-2-yl)ethanol

2-(1-tritylimidazol-2-yl)ethanol (PubChem CID 22120146) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(1-tritylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-tritylimidazol-2-yl)ethanol
PubChem CID22120146
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-(1-tritylimidazol-2-yl)ethanol
SMILESOCCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c27-19-16-23-25-17-18-26(23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17-18,27H,16,19H2
InChIKeyHQYKULWBRIEZMO-UHFFFAOYSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.26
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 2-(1-tritylimidazol-2-yl)ethanol?
The IUPAC name of 2-(1-tritylimidazol-2-yl)ethanol (CID 22120146) is 2-(1-tritylimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(1-tritylimidazol-2-yl)ethanol?
The canonical SMILES for 2-(1-tritylimidazol-2-yl)ethanol is OCCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-tritylimidazol-2-yl)ethanol?
The InChIKey is HQYKULWBRIEZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c27-19-16-23-25-17-18-26(23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17-18,27H,16,19H2.
What are the key properties of 2-(1-tritylimidazol-2-yl)ethanol?
2-(1-tritylimidazol-2-yl)ethanol has a molecular weight of 354.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tritylimidazol-2-yl)ethanol is sourced from PubChem (CID 22120146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).