(4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole

C23H22N2 — CID 59655396

IUPAC(4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1
InChIInChI=1S/C23H22N2/c1-4-10-18(11-5-1)16-17-21-24-22(19-12-6-2-7-13-19)23(25-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2,(H,24,25)/t22-,23+
InChIKeyWUWLFTOAZYDEOE-ZRZAMGCNSA-N
MW326.44 g/mol
LogP5.10
Rot. Bonds5

About (4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole

(4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole (PubChem CID 59655396) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
PubChem CID59655396
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name(4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1
InChIInChI=1S/C23H22N2/c1-4-10-18(11-5-1)16-17-21-24-22(19-12-6-2-7-13-19)23(25-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2,(H,24,25)/t22-,23+
InChIKeyWUWLFTOAZYDEOE-ZRZAMGCNSA-N
XLogP5.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.10
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-phenylethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole (CID 59655396) is (4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole is c1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1.
What is the InChIKey of (4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is WUWLFTOAZYDEOE-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H22N2/c1-4-10-18(11-5-1)16-17-21-24-22(19-12-6-2-7-13-19)23(25-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2,(H,24,25)/t22-,23+.
What are the key properties of (4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole?
(4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 326.44 g/mol, XLogP of 5.10, 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-phenylethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59655396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).