tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate

C28H31N3O2 — CID 68569769

IUPACtert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
SMILESCN(Cc1ccccc1)C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C28H31N3O2/c1-28(2,3)33-27(32)31-25(23-18-12-7-13-19-23)24(22-16-10-6-11-17-22)29-26(31)30(4)20-21-14-8-5-9-15-21/h5-19,24-25H,20H2,1-4H3/t24-,25+/m0/s1
InChIKeyVRLXCFZJDBHVEV-LOSJGSFVSA-N
MW441.58 g/mol
LogP6.21
Rot. Bonds4

About tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate

tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate (PubChem CID 68569769) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
PubChem CID68569769
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Nametert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
SMILESCN(Cc1ccccc1)C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C28H31N3O2/c1-28(2,3)33-27(32)31-25(23-18-12-7-13-19-23)24(22-16-10-6-11-17-22)29-26(31)30(4)20-21-14-8-5-9-15-21/h5-19,24-25H,20H2,1-4H3/t24-,25+/m0/s1
InChIKeyVRLXCFZJDBHVEV-LOSJGSFVSA-N
XLogP6.21
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate (CID 68569769) is tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate is CN(Cc1ccccc1)C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is VRLXCFZJDBHVEV-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-28(2,3)33-27(32)31-25(23-18-12-7-13-19-23)24(22-16-10-6-11-17-22)29-26(31)30(4)20-21-14-8-5-9-15-21/h5-19,24-25H,20H2,1-4H3/t24-,25+/m0/s1.
What are the key properties of tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate?
tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 441.58 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-2-[benzyl(methyl)amino]-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 68569769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).