(5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione

C23H28N2O4 — CID 102097440

IUPAC(5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione
SMILESO=C1c2ccccc2O[C@@H]1[C@H]1C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H28N2O4/c26-20-17-13-7-8-14-18(17)29-21(20)19-22(27)25(16-11-5-2-6-12-16)23(28)24(19)15-9-3-1-4-10-15/h7-8,13-16,19,21H,1-6,9-12H2/t19-,21+/m0/s1
InChIKeyGLIXQQGDFFUFCR-PZJWPPBQSA-N
MW396.49 g/mol
LogP3.93
Rot. Bonds3

About (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione

(5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione (PubChem CID 102097440) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione
PubChem CID102097440
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione
SMILESO=C1c2ccccc2O[C@@H]1[C@H]1C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H28N2O4/c26-20-17-13-7-8-14-18(17)29-21(20)19-22(27)25(16-11-5-2-6-12-16)23(28)24(19)15-9-3-1-4-10-15/h7-8,13-16,19,21H,1-6,9-12H2/t19-,21+/m0/s1
InChIKeyGLIXQQGDFFUFCR-PZJWPPBQSA-N
XLogP3.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

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CID 43558023
(3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
CID 22305560
(2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
CID 902832
(3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
CID 6000992
(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one
CID 41068708
2-cycloheptyl-4H-isoquinoline-1,3-dione
CID 82132343
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225

Frequently Asked Questions

What is the IUPAC name of (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione (CID 102097440) is (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione is O=C1c2ccccc2O[C@@H]1[C@H]1C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione?
The InChIKey is GLIXQQGDFFUFCR-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-20-17-13-7-8-14-18(17)29-21(20)19-22(27)25(16-11-5-2-6-12-16)23(28)24(19)15-9-3-1-4-10-15/h7-8,13-16,19,21H,1-6,9-12H2/t19-,21+/m0/s1.
What are the key properties of (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione?
(5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 396.49 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 102097440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).