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

C28H25N3O3 — CID 71548690

IUPAC(5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(Cc3ccccc3)[nH]2)C1=O
InChIInChI=1S/C28H25N3O3/c1-20(23-15-9-4-10-16-23)31-26(32)28(34-27(31)33,18-22-13-7-3-8-14-22)25-29-19-24(30-25)17-21-11-5-2-6-12-21/h2-16,19-20H,17-18H2,1H3,(H,29,30)/t20-,28-/m1/s1
InChIKeyFECPGTWXDAVBIN-PIIWDFAUSA-N
MW451.53 g/mol
LogP5.18
Rot. Bonds7

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

(5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 71548690) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is (5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
PubChem CID71548690
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name(5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(Cc3ccccc3)[nH]2)C1=O
InChIInChI=1S/C28H25N3O3/c1-20(23-15-9-4-10-16-23)31-26(32)28(34-27(31)33,18-22-13-7-3-8-14-22)25-29-19-24(30-25)17-21-11-5-2-6-12-21/h2-16,19-20H,17-18H2,1H3,(H,29,30)/t20-,28-/m1/s1
InChIKeyFECPGTWXDAVBIN-PIIWDFAUSA-N
XLogP5.18
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
CID 71519686
(5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
CID 71549690
(5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
CID 71549691
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 71550110
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 71550242
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 71550527
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(4-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 71550528
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 71550529
(5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 71550802
3-[4-(4-methylphenyl)phenyl]-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 49781063
2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile
CID 122178359
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-2-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 122178362

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione (CID 71548690) is (5R)-5-benzyl-5-(5-benzyl-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-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione is C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(Cc3ccccc3)[nH]2)C1=O.
What is the InChIKey of (5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is FECPGTWXDAVBIN-PIIWDFAUSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-20(23-15-9-4-10-16-23)31-26(32)28(34-27(31)33,18-22-13-7-3-8-14-22)25-29-19-24(30-25)17-21-11-5-2-6-12-21/h2-16,19-20H,17-18H2,1H3,(H,29,30)/t20-,28-/m1/s1.
What are the key properties of (5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
(5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 451.53 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71548690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).