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

C23H20F2N2 — CID 11175895

IUPAC(4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cc(F)cc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C23H20F2N2/c24-19-13-16(14-20(25)15-19)11-12-21-26-22(17-7-3-1-4-8-17)23(27-21)18-9-5-2-6-10-18/h1-10,13-15,22-23H,11-12H2,(H,26,27)/t22-,23+
InChIKeyXNIFVTWUNAIFHI-ZRZAMGCNSA-N
MW362.42 g/mol
LogP5.38
Rot. Bonds5

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

(4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11175895) has the molecular formula C23H20F2N2 and a molecular weight of 362.42 g/mol. Its IUPAC name is (4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11175895
Molecular FormulaC23H20F2N2
Molecular Weight362.42 g/mol
Exact Mass362.16
IUPAC Name(4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cc(F)cc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C23H20F2N2/c24-19-13-16(14-20(25)15-19)11-12-21-26-22(17-7-3-1-4-8-17)23(27-21)18-9-5-2-6-10-18/h1-10,13-15,22-23H,11-12H2,(H,26,27)/t22-,23+
InChIKeyXNIFVTWUNAIFHI-ZRZAMGCNSA-N
XLogP5.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11175895) is (4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1cc(F)cc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1.
What is the InChIKey of (4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is XNIFVTWUNAIFHI-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H20F2N2/c24-19-13-16(14-20(25)15-19)11-12-21-26-22(17-7-3-1-4-8-17)23(27-21)18-9-5-2-6-10-18/h1-10,13-15,22-23H,11-12H2,(H,26,27)/t22-,23+.
What are the key properties of (4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 362.42 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[2-(3,5-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11175895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).