(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

C20H26N2O3 — CID 126729237

IUPAC(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2)C(=O)[C@]1(C)CC1CCCCC1
InChIInChI=1S/C20H26N2O3/c1-20(13-15-9-5-3-6-10-15)18(24)22(19(25)21(20)2)14-17(23)16-11-7-4-8-12-16/h4,7-8,11-12,15H,3,5-6,9-10,13-14H2,1-2H3/t20-/m0/s1
InChIKeySMTJPJXRNRHRED-FQEVSTJZSA-N
MW342.44 g/mol
LogP3.49
Rot. Bonds5

About (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (PubChem CID 126729237) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
PubChem CID126729237
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2)C(=O)[C@]1(C)CC1CCCCC1
InChIInChI=1S/C20H26N2O3/c1-20(13-15-9-5-3-6-10-15)18(24)22(19(25)21(20)2)14-17(23)16-11-7-4-8-12-16/h4,7-8,11-12,15H,3,5-6,9-10,13-14H2,1-2H3/t20-/m0/s1
InChIKeySMTJPJXRNRHRED-FQEVSTJZSA-N
XLogP3.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
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 (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (CID 126729237) is (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is CN1C(=O)N(CC(=O)c2ccccc2)C(=O)[C@]1(C)CC1CCCCC1.
What is the InChIKey of (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The InChIKey is SMTJPJXRNRHRED-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(13-15-9-5-3-6-10-15)18(24)22(19(25)21(20)2)14-17(23)16-11-7-4-8-12-16/h4,7-8,11-12,15H,3,5-6,9-10,13-14H2,1-2H3/t20-/m0/s1.
What are the key properties of (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione has a molecular weight of 342.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 126729237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).