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

C24H21F3N2 — CID 68565712

IUPAC(4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1
InChIInChI=1S/C24H21F3N2/c25-24(26,27)20-14-11-17(12-15-20)13-16-21-28-22(18-7-3-1-4-8-18)23(29-21)19-9-5-2-6-10-19/h1-12,14-15,22-23H,13,16H2,(H,28,29)/t22-,23+
InChIKeyYMUSDINKVQNJMN-ZRZAMGCNSA-N
MW394.44 g/mol
LogP6.12
Rot. Bonds5

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

(4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 68565712) has the molecular formula C24H21F3N2 and a molecular weight of 394.44 g/mol. Its IUPAC name is (4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole
PubChem CID68565712
Molecular FormulaC24H21F3N2
Molecular Weight394.44 g/mol
Exact Mass394.17
IUPAC Name(4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1
InChIInChI=1S/C24H21F3N2/c25-24(26,27)20-14-11-17(12-15-20)13-16-21-28-22(18-7-3-1-4-8-18)23(29-21)19-9-5-2-6-10-19/h1-12,14-15,22-23H,13,16H2,(H,28,29)/t22-,23+
InChIKeyYMUSDINKVQNJMN-ZRZAMGCNSA-N
XLogP6.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole (CID 68565712) is (4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1.
What is the InChIKey of (4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is YMUSDINKVQNJMN-ZRZAMGCNSA-N. The full InChI is InChI=1S/C24H21F3N2/c25-24(26,27)20-14-11-17(12-15-20)13-16-21-28-22(18-7-3-1-4-8-18)23(29-21)19-9-5-2-6-10-19/h1-12,14-15,22-23H,13,16H2,(H,28,29)/t22-,23+.
What are the key properties of (4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole?
(4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 394.44 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-diphenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68565712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).