(4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C22H19FN2O — CID 11290946

IUPAC(4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(OCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C22H19FN2O/c23-18-12-7-13-19(14-18)26-15-20-24-21(16-8-3-1-4-9-16)22(25-20)17-10-5-2-6-11-17/h1-14,21-22H,15H2,(H,24,25)/t21-,22+
InChIKeyPKZKDVYJHMAMIY-SZPZYZBQSA-N
MW346.41 g/mol
LogP4.69
Rot. Bonds5

About (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11290946) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11290946
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name(4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(OCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C22H19FN2O/c23-18-12-7-13-19(14-18)26-15-20-24-21(16-8-3-1-4-9-16)22(25-20)17-10-5-2-6-11-17/h1-14,21-22H,15H2,(H,24,25)/t21-,22+
InChIKeyPKZKDVYJHMAMIY-SZPZYZBQSA-N
XLogP4.69
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11290946) is (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1cccc(OCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1.
What is the InChIKey of (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is PKZKDVYJHMAMIY-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H19FN2O/c23-18-12-7-13-19(14-18)26-15-20-24-21(16-8-3-1-4-9-16)22(25-20)17-10-5-2-6-11-17/h1-14,21-22H,15H2,(H,24,25)/t21-,22+.
What are the key properties of (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 346.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(3-fluorophenoxy)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11290946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).