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

C25H26N2 — CID 11294314

IUPAC(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(CCCCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C25H26N2/c1-4-12-20(13-5-1)14-10-11-19-23-26-24(21-15-6-2-7-16-21)25(27-23)22-17-8-3-9-18-22/h1-9,12-13,15-18,24-25H,10-11,14,19H2,(H,26,27)/t24-,25+
InChIKeyUTILCGQEOQVGJN-PLQXJYEYSA-N
MW354.50 g/mol
LogP5.88
Rot. Bonds7

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

(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole (PubChem CID 11294314) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is (4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole
PubChem CID11294314
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(CCCCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C25H26N2/c1-4-12-20(13-5-1)14-10-11-19-23-26-24(21-15-6-2-7-16-21)25(27-23)22-17-8-3-9-18-22/h1-9,12-13,15-18,24-25H,10-11,14,19H2,(H,26,27)/t24-,25+
InChIKeyUTILCGQEOQVGJN-PLQXJYEYSA-N
XLogP5.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole (CID 11294314) is (4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole is c1ccc(CCCCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1.
What is the InChIKey of (4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole?
The InChIKey is UTILCGQEOQVGJN-PLQXJYEYSA-N. The full InChI is InChI=1S/C25H26N2/c1-4-12-20(13-5-1)14-10-11-19-23-26-24(21-15-6-2-7-16-21)25(27-23)22-17-8-3-9-18-22/h1-9,12-13,15-18,24-25H,10-11,14,19H2,(H,26,27)/t24-,25+.
What are the key properties of (4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole has a molecular weight of 354.50 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11294314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).