(5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione

C29H27N3O5 — CID 71550801

IUPAC(5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
SMILESCOc1cc(OC)cc(-c2cnc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccccc4)C3=O)[nH]2)c1
InChIInChI=1S/C29H27N3O5/c1-19(21-12-8-5-9-13-21)32-27(33)29(37-28(32)34,17-20-10-6-4-7-11-20)26-30-18-25(31-26)22-14-23(35-2)16-24(15-22)36-3/h4-16,18-19H,17H2,1-3H3,(H,30,31)/t19-,29-/m1/s1
InChIKeyMVLHHDVFIYJLST-SONOPUAISA-N
MW497.55 g/mol
LogP5.27
Rot. Bonds8

About (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione

(5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 71550801) has the molecular formula C29H27N3O5 and a molecular weight of 497.55 g/mol. Its IUPAC name is (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
PubChem CID71550801
Molecular FormulaC29H27N3O5
Molecular Weight497.55 g/mol
Exact Mass497.20
IUPAC Name(5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
SMILESCOc1cc(OC)cc(-c2cnc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccccc4)C3=O)[nH]2)c1
InChIInChI=1S/C29H27N3O5/c1-19(21-12-8-5-9-13-21)32-27(33)29(37-28(32)34,17-20-10-6-4-7-11-20)26-30-18-25(31-26)22-14-23(35-2)16-24(15-22)36-3/h4-16,18-19H,17H2,1-3H3,(H,30,31)/t19-,29-/m1/s1
InChIKeyMVLHHDVFIYJLST-SONOPUAISA-N
XLogP5.27
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.55
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione (CID 71550801) is (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione is COc1cc(OC)cc(-c2cnc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccccc4)C3=O)[nH]2)c1.
What is the InChIKey of (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is MVLHHDVFIYJLST-SONOPUAISA-N. The full InChI is InChI=1S/C29H27N3O5/c1-19(21-12-8-5-9-13-21)32-27(33)29(37-28(32)34,17-20-10-6-4-7-11-20)26-30-18-25(31-26)22-14-23(35-2)16-24(15-22)36-3/h4-16,18-19H,17H2,1-3H3,(H,30,31)/t19-,29-/m1/s1.
What are the key properties of (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
(5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 497.55 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-5-[5-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71550801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).