(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole

C24H19F5N2 — CID 11396286

About (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole

(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 11396286) has the molecular formula C24H19F5N2 and a molecular weight of 430.42 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

• Compound Name: (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole
• PubChem CID: 11396286
• Molecular Formula: C24H19F5N2
• Molecular Weight: 430.42 g/mol
• Exact Mass: 430.15
• IUPAC Name: (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole
• SMILES: Fc1cccc([C@H]2N=C(CCc3ccc(C(F)(F)F)cc3)N[C@H]2c2cccc(F)c2)c1
• InChI: InChI=1S/C24H19F5N2/c25-19-5-1-3-16(13-19)22-23(17-4-2-6-20(26)14-17)31-21(30-22)12-9-15-7-10-18(11-8-15)24(27,28)29/h1-8,10-11,13-14,22-23H,9,12H2,(H,30,31)/t22-,23+
• InChIKey: XKRLWVADOBBXHR-ZRZAMGCNSA-N
• XLogP: 6.40
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.42
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?

The IUPAC name of (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole (CID 11396286) is (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole.

What is the SMILES notation for (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?

The canonical SMILES for (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole is Fc1cccc([C@H]2N=C(CCc3ccc(C(F)(F)F)cc3)N[C@H]2c2cccc(F)c2)c1.

What is the InChIKey of (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?

The InChIKey is XKRLWVADOBBXHR-ZRZAMGCNSA-N. The full InChI is InChI=1S/C24H19F5N2/c25-19-5-1-3-16(13-19)22-23(17-4-2-6-20(26)14-17)31-21(30-22)12-9-15-7-10-18(11-8-15)24(27,28)29/h1-8,10-11,13-14,22-23H,9,12H2,(H,30,31)/t22-,23+.

What are the key properties of (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?

(4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 430.42 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-4,5-bis(3-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11396286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).