ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate

C42H43N3O6 — CID 71762770

IUPACethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C42H43N3O6/c1-6-51-41(46)42(33-15-11-8-12-16-33)39(45(28-29-13-9-7-10-14-29)40(44-42)32-19-23-35(47-2)24-20-32)31-17-21-34(22-18-31)43-27-30-25-36(48-3)38(50-5)37(26-30)49-4/h7-26,39,43H,6,27-28H2,1-5H3/t39-,42-/m1/s1
InChIKeyOMBLHPFXADSAAD-OLBRMRTOSA-N
MW685.82 g/mol
LogP7.80
Rot. Bonds14

About ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate

ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate (PubChem CID 71762770) has the molecular formula C42H43N3O6 and a molecular weight of 685.82 g/mol. Its IUPAC name is ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate
PubChem CID71762770
Molecular FormulaC42H43N3O6
Molecular Weight685.82 g/mol
Exact Mass685.32
IUPAC Nameethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C42H43N3O6/c1-6-51-41(46)42(33-15-11-8-12-16-33)39(45(28-29-13-9-7-10-14-29)40(44-42)32-19-23-35(47-2)24-20-32)31-17-21-34(22-18-31)43-27-30-25-36(48-3)38(50-5)37(26-30)49-4/h7-26,39,43H,6,27-28H2,1-5H3/t39-,42-/m1/s1
InChIKeyOMBLHPFXADSAAD-OLBRMRTOSA-N
XLogP7.80
TPSA90.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.82
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-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 ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate?
The IUPAC name of ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate (CID 71762770) is ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate?
The canonical SMILES for ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate is CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate?
The InChIKey is OMBLHPFXADSAAD-OLBRMRTOSA-N. The full InChI is InChI=1S/C42H43N3O6/c1-6-51-41(46)42(33-15-11-8-12-16-33)39(45(28-29-13-9-7-10-14-29)40(44-42)32-19-23-35(47-2)24-20-32)31-17-21-34(22-18-31)43-27-30-25-36(48-3)38(50-5)37(26-30)49-4/h7-26,39,43H,6,27-28H2,1-5H3/t39-,42-/m1/s1.
What are the key properties of ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate?
ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate has a molecular weight of 685.82 g/mol, XLogP of 7.80, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-3-benzyl-2-(4-methoxyphenyl)-5-phenyl-4-[4-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]-4H-imidazole-5-carboxylate is sourced from PubChem (CID 71762770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).