2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole

C24H21FN2O — CID 70553142

IUPAC2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole
SMILESCOCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21FN2O/c1-28-17-21-22(27-23(25)26-21)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3,(H,26,27)
InChIKeyCAIUVQDHRXRQOM-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.08
Rot. Bonds6

About 2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole

2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole (PubChem CID 70553142) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole.

Molecular Properties

Compound Name2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole
PubChem CID70553142
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole
SMILESCOCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21FN2O/c1-28-17-21-22(27-23(25)26-21)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3,(H,26,27)
InChIKeyCAIUVQDHRXRQOM-UHFFFAOYSA-N
XLogP5.08
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
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-5-(methoxymethyl)-4-trityl-1H-imidazole?
The IUPAC name of 2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole (CID 70553142) is 2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole.
What is the SMILES notation for 2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole?
The canonical SMILES for 2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole is COCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole?
The InChIKey is CAIUVQDHRXRQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-28-17-21-22(27-23(25)26-21)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3,(H,26,27).
What are the key properties of 2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole?
2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole has a molecular weight of 372.44 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(methoxymethyl)-4-trityl-1H-imidazole is sourced from PubChem (CID 70553142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).