(4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C23H20F2N2 — CID 11199261

IUPAC(4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCc1ccc(F)c(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1F
InChIInChI=1S/C23H20F2N2/c1-15-12-13-19(24)18(21(15)25)14-20-26-22(16-8-4-2-5-9-16)23(27-20)17-10-6-3-7-11-17/h2-13,22-23H,14H2,1H3,(H,26,27)/t22-,23+
InChIKeyIMIXOMYWRKWNCH-ZRZAMGCNSA-N
MW362.42 g/mol
LogP5.30
Rot. Bonds4

About (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11199261) has the molecular formula C23H20F2N2 and a molecular weight of 362.42 g/mol. Its IUPAC name is (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11199261
Molecular FormulaC23H20F2N2
Molecular Weight362.42 g/mol
Exact Mass362.16
IUPAC Name(4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCc1ccc(F)c(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1F
InChIInChI=1S/C23H20F2N2/c1-15-12-13-19(24)18(21(15)25)14-20-26-22(16-8-4-2-5-9-16)23(27-20)17-10-6-3-7-11-17/h2-13,22-23H,14H2,1H3,(H,26,27)/t22-,23+
InChIKeyIMIXOMYWRKWNCH-ZRZAMGCNSA-N
XLogP5.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11199261) is (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Cc1ccc(F)c(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1F.
What is the InChIKey of (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is IMIXOMYWRKWNCH-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H20F2N2/c1-15-12-13-19(24)18(21(15)25)14-20-26-22(16-8-4-2-5-9-16)23(27-20)17-10-6-3-7-11-17/h2-13,22-23H,14H2,1H3,(H,26,27)/t22-,23+.
What are the key properties of (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 362.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(2,6-difluoro-3-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11199261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).