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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Related Compounds

2-(3-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384747
2-(4-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384984
(2-fluoro-4-trityl-1H-imidazol-5-yl)methanol
CID 70552764
3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propyl acetate
CID 70556017
3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol
CID 70579525
5-(dimethoxymethyl)-4-[2-(4-fluorophenyl)propan-2-yl]-1H-imidazole-2-carbaldehyde
CID 87886417
2-(3-fluorophenyl)-5-(methoxymethyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)-1H-imidazole
CID 142178795
5-benzyl-4-[cyclopropylidene(methoxy)methyl]-2-[(2Z,4Z)-6-fluoro-3-methylhepta-2,4,6-trienyl]-1H-imidazole
CID 144263774
[2-benzhydryl-4-(4-fluorophenyl)-1H-imidazol-5-yl]methyl acetate
CID 174510797
5-(methoxymethyl)-2,4-diphenyl-1H-imidazole
CID 135017373
5-[1-(3-fluorophenyl)-1-phenylmethoxybut-3-enyl]-1H-imidazole
CID 142075968
N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine
CID 15621659

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).