(5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen

C28H40N4O2 — CID 143761706

IUPAC(5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen
SMILESCC.Cc1ccc2nc([C@H]([C@@H](C)c3ccccc3)N3C(=O)N[C@H](C4CCCCC4)C3=O)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C26H30N4O2.C2H6.2H2/c1-16-13-14-20-21(15-16)28-24(27-20)23(17(2)18-9-5-3-6-10-18)30-25(31)22(29-26(30)32)19-11-7-4-8-12-19;1-2;;/h3,5-6,9-10,13-15,17,19,22-23H,4,7-8,11-12H2,1-2H3,(H,27,28)(H,29,32);1-2H3;2*1H/t17-,22+,23-;;;/m0.../s1
InChIKeyOFSGLZORQGBNGS-MJHYXHMUSA-N
MW464.65 g/mol
LogP6.74
Rot. Bonds5

About (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen

(5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen (PubChem CID 143761706) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen.

Molecular Properties

Compound Name(5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen
PubChem CID143761706
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Name(5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen
SMILESCC.Cc1ccc2nc([C@H]([C@@H](C)c3ccccc3)N3C(=O)N[C@H](C4CCCCC4)C3=O)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C26H30N4O2.C2H6.2H2/c1-16-13-14-20-21(15-16)28-24(27-20)23(17(2)18-9-5-3-6-10-18)30-25(31)22(29-26(30)32)19-11-7-4-8-12-19;1-2;;/h3,5-6,9-10,13-15,17,19,22-23H,4,7-8,11-12H2,1-2H3,(H,27,28)(H,29,32);1-2H3;2*1H/t17-,22+,23-;;;/m0.../s1
InChIKeyOFSGLZORQGBNGS-MJHYXHMUSA-N
XLogP6.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen?
The IUPAC name of (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen (CID 143761706) is (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen.
What is the SMILES notation for (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen?
The canonical SMILES for (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen is CC.Cc1ccc2nc([C@H]([C@@H](C)c3ccccc3)N3C(=O)N[C@H](C4CCCCC4)C3=O)[nH]c2c1.[H][H].[H][H].
What is the InChIKey of (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen?
The InChIKey is OFSGLZORQGBNGS-MJHYXHMUSA-N. The full InChI is InChI=1S/C26H30N4O2.C2H6.2H2/c1-16-13-14-20-21(15-16)28-24(27-20)23(17(2)18-9-5-3-6-10-18)30-25(31)22(29-26(30)32)19-11-7-4-8-12-19;1-2;;/h3,5-6,9-10,13-15,17,19,22-23H,4,7-8,11-12H2,1-2H3,(H,27,28)(H,29,32);1-2H3;2*1H/t17-,22+,23-;;;/m0.../s1.
What are the key properties of (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen?
(5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen has a molecular weight of 464.65 g/mol, XLogP of 6.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclohexyl-3-[(1S,2S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenylpropyl]imidazolidine-2,4-dione;ethane;molecular hydrogen is sourced from PubChem (CID 143761706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).