(2-fluoro-4-trityl-1H-imidazol-5-yl)methanol

C23H19FN2O — CID 70552764

IUPAC(2-fluoro-4-trityl-1H-imidazol-5-yl)methanol
SMILESOCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19FN2O/c24-22-25-20(16-27)21(26-22)23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,27H,16H2,(H,25,26)
InChIKeyGAKYFANZROCOCL-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.42
Rot. Bonds5

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

(2-fluoro-4-trityl-1H-imidazol-5-yl)methanol (PubChem CID 70552764) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is (2-fluoro-4-trityl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-4-trityl-1H-imidazol-5-yl)methanol
PubChem CID70552764
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name(2-fluoro-4-trityl-1H-imidazol-5-yl)methanol
SMILESOCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19FN2O/c24-22-25-20(16-27)21(26-22)23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,27H,16H2,(H,25,26)
InChIKeyGAKYFANZROCOCL-UHFFFAOYSA-N
XLogP4.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.42
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-fluoro-4-trityl-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-fluoro-4-trityl-1H-imidazol-5-yl)methanol (CID 70552764) is (2-fluoro-4-trityl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-fluoro-4-trityl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-fluoro-4-trityl-1H-imidazol-5-yl)methanol is OCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-fluoro-4-trityl-1H-imidazol-5-yl)methanol?
The InChIKey is GAKYFANZROCOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c24-22-25-20(16-27)21(26-22)23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,27H,16H2,(H,25,26).
What are the key properties of (2-fluoro-4-trityl-1H-imidazol-5-yl)methanol?
(2-fluoro-4-trityl-1H-imidazol-5-yl)methanol has a molecular weight of 358.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-trityl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 70552764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).