2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole

C30H23FN2 — CID 70553410

IUPAC2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole
SMILESFc1nc(/C=C/c2ccccc2)c(C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C30H23FN2/c31-29-32-27(22-21-23-13-5-1-6-14-23)28(33-29)30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,(H,32,33)/b22-21+
InChIKeyZQRSOKRIOXOYIS-QURGRASLSA-N
MW430.53 g/mol
LogP7.10
Rot. Bonds6

About 2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole

2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole (PubChem CID 70553410) has the molecular formula C30H23FN2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole.

Molecular Properties

Compound Name2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole
PubChem CID70553410
Molecular FormulaC30H23FN2
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC Name2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole
SMILESFc1nc(/C=C/c2ccccc2)c(C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C30H23FN2/c31-29-32-27(22-21-23-13-5-1-6-14-23)28(33-29)30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,(H,32,33)/b22-21+
InChIKeyZQRSOKRIOXOYIS-QURGRASLSA-N
XLogP7.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole?
The IUPAC name of 2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole (CID 70553410) is 2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole.
What is the SMILES notation for 2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole?
The canonical SMILES for 2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole is Fc1nc(/C=C/c2ccccc2)c(C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole?
The InChIKey is ZQRSOKRIOXOYIS-QURGRASLSA-N. The full InChI is InChI=1S/C30H23FN2/c31-29-32-27(22-21-23-13-5-1-6-14-23)28(33-29)30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,(H,32,33)/b22-21+.
What are the key properties of 2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole?
2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole has a molecular weight of 430.53 g/mol, XLogP of 7.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(E)-2-phenylethenyl]-5-trityl-1H-imidazole is sourced from PubChem (CID 70553410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).