(4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole

C28H24N2 — CID 11567258

IUPAC(4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole
SMILESc1ccc(CN2C(c3ccccc3)=N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C28H24N2/c1-5-13-22(14-6-1)21-30-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)29-28(30)25-19-11-4-12-20-25/h1-20,26-27H,21H2/t26-,27-/m1/s1
InChIKeyVSOVRPJUEZLLSA-KAYWLYCHSA-N
MW388.51 g/mol
LogP6.43
Rot. Bonds5

About (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole

(4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole (PubChem CID 11567258) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole
PubChem CID11567258
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name(4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole
SMILESc1ccc(CN2C(c3ccccc3)=N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C28H24N2/c1-5-13-22(14-6-1)21-30-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)29-28(30)25-19-11-4-12-20-25/h1-20,26-27H,21H2/t26-,27-/m1/s1
InChIKeyVSOVRPJUEZLLSA-KAYWLYCHSA-N
XLogP6.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole?
The IUPAC name of (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole (CID 11567258) is (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole?
The canonical SMILES for (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole is c1ccc(CN2C(c3ccccc3)=N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole?
The InChIKey is VSOVRPJUEZLLSA-KAYWLYCHSA-N. The full InChI is InChI=1S/C28H24N2/c1-5-13-22(14-6-1)21-30-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)29-28(30)25-19-11-4-12-20-25/h1-20,26-27H,21H2/t26-,27-/m1/s1.
What are the key properties of (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole?
(4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole has a molecular weight of 388.51 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-benzyl-2,4,5-triphenyl-4,5-dihydroimidazole is sourced from PubChem (CID 11567258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).