(4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C22H18ClFN2S — CID 59655437

IUPAC(4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CSC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C22H18ClFN2S/c23-18-12-7-13-19(24)17(18)14-27-22-25-20(15-8-3-1-4-9-15)21(26-22)16-10-5-2-6-11-16/h1-13,20-21H,14H2,(H,25,26)/t20-,21+
InChIKeyMCDMPTBJIHUQQT-OYRHEFFESA-N
MW396.92 g/mol
LogP6.15
Rot. Bonds4

About (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 59655437) has the molecular formula C22H18ClFN2S and a molecular weight of 396.92 g/mol. Its IUPAC name is (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID59655437
Molecular FormulaC22H18ClFN2S
Molecular Weight396.92 g/mol
Exact Mass396.09
IUPAC Name(4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CSC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C22H18ClFN2S/c23-18-12-7-13-19(24)17(18)14-27-22-25-20(15-8-3-1-4-9-15)21(26-22)16-10-5-2-6-11-16/h1-13,20-21H,14H2,(H,25,26)/t20-,21+
InChIKeyMCDMPTBJIHUQQT-OYRHEFFESA-N
XLogP6.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-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-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 59655437) is (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1cccc(Cl)c1CSC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1.
What is the InChIKey of (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is MCDMPTBJIHUQQT-OYRHEFFESA-N. The full InChI is InChI=1S/C22H18ClFN2S/c23-18-12-7-13-19(24)17(18)14-27-22-25-20(15-8-3-1-4-9-15)21(26-22)16-10-5-2-6-11-16/h1-13,20-21H,14H2,(H,25,26)/t20-,21+.
What are the key properties of (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 396.92 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59655437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).