2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole

C25H21FN2 — CID 70553975

IUPAC2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole
SMILESC=CCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21FN2/c1-2-12-22-23(28-24(26)27-22)25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-11,13-18H,1,12H2,(H,27,28)
InChIKeyWKCOMIFOTUNFDQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.66
Rot. Bonds6

About 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole

2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole (PubChem CID 70553975) has the molecular formula C25H21FN2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole.

Molecular Properties

Compound Name2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole
PubChem CID70553975
Molecular FormulaC25H21FN2
Molecular Weight368.46 g/mol
Exact Mass368.17
IUPAC Name2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole
SMILESC=CCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21FN2/c1-2-12-22-23(28-24(26)27-22)25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-11,13-18H,1,12H2,(H,27,28)
InChIKeyWKCOMIFOTUNFDQ-UHFFFAOYSA-N
XLogP5.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole?
The IUPAC name of 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole (CID 70553975) is 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole.
What is the SMILES notation for 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole?
The canonical SMILES for 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole is C=CCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole?
The InChIKey is WKCOMIFOTUNFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2/c1-2-12-22-23(28-24(26)27-22)25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-11,13-18H,1,12H2,(H,27,28).
What are the key properties of 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole?
2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole has a molecular weight of 368.46 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-prop-2-enyl-4-trityl-1H-imidazole is sourced from PubChem (CID 70553975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).