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

C22H17F3N2O — CID 59655530

IUPAC(4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1ccc(OCC2=N[C@H](c3cccc(F)c3)[C@H](c3cccc(F)c3)N2)cc1
InChIInChI=1S/C22H17F3N2O/c23-16-7-9-19(10-8-16)28-13-20-26-21(14-3-1-5-17(24)11-14)22(27-20)15-4-2-6-18(25)12-15/h1-12,21-22H,13H2,(H,26,27)/t21-,22+
InChIKeyLMUOKWHPRCEDJH-SZPZYZBQSA-N
MW382.39 g/mol
LogP4.97
Rot. Bonds5

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

(4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 59655530) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
PubChem CID59655530
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name(4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1ccc(OCC2=N[C@H](c3cccc(F)c3)[C@H](c3cccc(F)c3)N2)cc1
InChIInChI=1S/C22H17F3N2O/c23-16-7-9-19(10-8-16)28-13-20-26-21(14-3-1-5-17(24)11-14)22(27-20)15-4-2-6-18(25)12-15/h1-12,21-22H,13H2,(H,26,27)/t21-,22+
InChIKeyLMUOKWHPRCEDJH-SZPZYZBQSA-N
XLogP4.97
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole (CID 59655530) is (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole is Fc1ccc(OCC2=N[C@H](c3cccc(F)c3)[C@H](c3cccc(F)c3)N2)cc1.
What is the InChIKey of (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is LMUOKWHPRCEDJH-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H17F3N2O/c23-16-7-9-19(10-8-16)28-13-20-26-21(14-3-1-5-17(24)11-14)22(27-20)15-4-2-6-18(25)12-15/h1-12,21-22H,13H2,(H,26,27)/t21-,22+.
What are the key properties of (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 382.39 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59655530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).