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

C25H26N2 — CID 11279679

IUPAC(4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCC(C)(CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C25H26N2/c1-25(2,21-16-10-5-11-17-21)18-22-26-23(19-12-6-3-7-13-19)24(27-22)20-14-8-4-9-15-20/h3-17,23-24H,18H2,1-2H3,(H,26,27)/t23-,24+
InChIKeyABAFZIKNWHPYOU-PSWAGMNNSA-N
MW354.50 g/mol
LogP5.84
Rot. Bonds5

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

(4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11279679) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is (4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11279679
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name(4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCC(C)(CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C25H26N2/c1-25(2,21-16-10-5-11-17-21)18-22-26-23(19-12-6-3-7-13-19)24(27-22)20-14-8-4-9-15-20/h3-17,23-24H,18H2,1-2H3,(H,26,27)/t23-,24+
InChIKeyABAFZIKNWHPYOU-PSWAGMNNSA-N
XLogP5.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.84
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-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11279679) is (4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is CC(C)(CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1.
What is the InChIKey of (4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is ABAFZIKNWHPYOU-PSWAGMNNSA-N. The full InChI is InChI=1S/C25H26N2/c1-25(2,21-16-10-5-11-17-21)18-22-26-23(19-12-6-3-7-13-19)24(27-22)20-14-8-4-9-15-20/h3-17,23-24H,18H2,1-2H3,(H,26,27)/t23-,24+.
What are the key properties of (4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 354.50 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-(2-methyl-2-phenylpropyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11279679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).