1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole

C21H19FN2O — CID 175741381

IUPAC1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole
SMILESCc1ccc(-c2cn(C3=CCOCC3)c(-c3ccccc3F)n2)cc1
InChIInChI=1S/C21H19FN2O/c1-15-6-8-16(9-7-15)20-14-24(17-10-12-25-13-11-17)21(23-20)18-4-2-3-5-19(18)22/h2-10,14H,11-13H2,1H3
InChIKeyVTWQYIPYTPPMGQ-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.93
Rot. Bonds3

About 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole

1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole (PubChem CID 175741381) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole
PubChem CID175741381
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole
SMILESCc1ccc(-c2cn(C3=CCOCC3)c(-c3ccccc3F)n2)cc1
InChIInChI=1S/C21H19FN2O/c1-15-6-8-16(9-7-15)20-14-24(17-10-12-25-13-11-17)21(23-20)18-4-2-3-5-19(18)22/h2-10,14H,11-13H2,1H3
InChIKeyVTWQYIPYTPPMGQ-UHFFFAOYSA-N
XLogP4.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole (CID 175741381) is 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole is Cc1ccc(-c2cn(C3=CCOCC3)c(-c3ccccc3F)n2)cc1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole?
The InChIKey is VTWQYIPYTPPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-15-6-8-16(9-7-15)20-14-24(17-10-12-25-13-11-17)21(23-20)18-4-2-3-5-19(18)22/h2-10,14H,11-13H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole?
1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole has a molecular weight of 334.39 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole is sourced from PubChem (CID 175741381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).