5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione

C21H28N2O4 — CID 118599453

IUPAC5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC2(c3ccccc3)OCCO2)C(=O)C1(C)CC1CCCC1
InChIInChI=1S/C21H28N2O4/c1-20(14-16-8-6-7-9-16)18(24)23(19(25)22(20)2)15-21(26-12-13-27-21)17-10-4-3-5-11-17/h3-5,10-11,16H,6-9,12-15H2,1-2H3
InChIKeyKOVINRXDSGKIDW-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.12
Rot. Bonds5

About 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione

5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 118599453) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID118599453
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC2(c3ccccc3)OCCO2)C(=O)C1(C)CC1CCCC1
InChIInChI=1S/C21H28N2O4/c1-20(14-16-8-6-7-9-16)18(24)23(19(25)22(20)2)15-21(26-12-13-27-21)17-10-4-3-5-11-17/h3-5,10-11,16H,6-9,12-15H2,1-2H3
InChIKeyKOVINRXDSGKIDW-UHFFFAOYSA-N
XLogP3.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione (CID 118599453) is 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione is CN1C(=O)N(CC2(c3ccccc3)OCCO2)C(=O)C1(C)CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is KOVINRXDSGKIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-20(14-16-8-6-7-9-16)18(24)23(19(25)22(20)2)15-21(26-12-13-27-21)17-10-4-3-5-11-17/h3-5,10-11,16H,6-9,12-15H2,1-2H3.
What are the key properties of 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione?
5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 372.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-1,5-dimethyl-3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 118599453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).