methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate

C25H24N2O2 — CID 44591521

IUPACmethyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
SMILESCOC(=O)[C@]1(C)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-25(24(28)29-2)22(20-14-8-4-9-15-20)27(18-19-12-6-3-7-13-19)23(26-25)21-16-10-5-11-17-21/h3-17,22H,18H2,1-2H3/t22-,25-/m1/s1
InChIKeyBJSLNWYYIVOQJY-RCZVLFRGSA-N
MW384.48 g/mol
LogP4.62
Rot. Bonds5

About methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate

methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate (PubChem CID 44591521) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
PubChem CID44591521
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Namemethyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
SMILESCOC(=O)[C@]1(C)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-25(24(28)29-2)22(20-14-8-4-9-15-20)27(18-19-12-6-3-7-13-19)23(26-25)21-16-10-5-11-17-21/h3-17,22H,18H2,1-2H3/t22-,25-/m1/s1
InChIKeyBJSLNWYYIVOQJY-RCZVLFRGSA-N
XLogP4.62
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate?
The IUPAC name of methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate (CID 44591521) is methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate.
What is the SMILES notation for methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate?
The canonical SMILES for methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate is COC(=O)[C@]1(C)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate?
The InChIKey is BJSLNWYYIVOQJY-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-25(24(28)29-2)22(20-14-8-4-9-15-20)27(18-19-12-6-3-7-13-19)23(26-25)21-16-10-5-11-17-21/h3-17,22H,18H2,1-2H3/t22-,25-/m1/s1.
What are the key properties of methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate?
methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate is sourced from PubChem (CID 44591521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).