2-(4-trityl-1H-imidazol-5-yl)ethanol

C24H22N2O — CID 169300212

IUPAC2-(4-trityl-1H-imidazol-5-yl)ethanol
SMILESOCCc1[nH]cnc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c27-17-16-22-23(26-18-25-22)24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18,27H,16-17H2,(H,25,26)
InChIKeyNIVQFPLQXJQAKY-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.33
Rot. Bonds6

About 2-(4-trityl-1H-imidazol-5-yl)ethanol

2-(4-trityl-1H-imidazol-5-yl)ethanol (PubChem CID 169300212) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-trityl-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-trityl-1H-imidazol-5-yl)ethanol
PubChem CID169300212
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-(4-trityl-1H-imidazol-5-yl)ethanol
SMILESOCCc1[nH]cnc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c27-17-16-22-23(26-18-25-22)24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18,27H,16-17H2,(H,25,26)
InChIKeyNIVQFPLQXJQAKY-UHFFFAOYSA-N
XLogP4.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-trityl-1H-imidazol-5-yl)ethanol?
The IUPAC name of 2-(4-trityl-1H-imidazol-5-yl)ethanol (CID 169300212) is 2-(4-trityl-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-trityl-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2-(4-trityl-1H-imidazol-5-yl)ethanol is OCCc1[nH]cnc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-trityl-1H-imidazol-5-yl)ethanol?
The InChIKey is NIVQFPLQXJQAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c27-17-16-22-23(26-18-25-22)24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18,27H,16-17H2,(H,25,26).
What are the key properties of 2-(4-trityl-1H-imidazol-5-yl)ethanol?
2-(4-trityl-1H-imidazol-5-yl)ethanol has a molecular weight of 354.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-trityl-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 169300212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).