(5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

C17H22N6O2 — CID 8572186

IUPAC(5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCn1nnnc1CN1C(=O)N[C@](CCC)(c2ccccc2)C1=O
InChIInChI=1S/C17H22N6O2/c1-3-10-17(13-8-6-5-7-9-13)15(24)22(16(25)18-17)12-14-19-20-21-23(14)11-4-2/h5-9H,3-4,10-12H2,1-2H3,(H,18,25)/t17-/m1/s1
InChIKeyUUXRMETWOKHDIJ-QGZVFWFLSA-N
MW342.40 g/mol
LogP1.83
Rot. Bonds7

About (5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

(5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 8572186) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID8572186
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCCn1nnnc1CN1C(=O)N[C@](CCC)(c2ccccc2)C1=O
InChIInChI=1S/C17H22N6O2/c1-3-10-17(13-8-6-5-7-9-13)15(24)22(16(25)18-17)12-14-19-20-21-23(14)11-4-2/h5-9H,3-4,10-12H2,1-2H3,(H,18,25)/t17-/m1/s1
InChIKeyUUXRMETWOKHDIJ-QGZVFWFLSA-N
XLogP1.83
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (CID 8572186) is (5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is CCCn1nnnc1CN1C(=O)N[C@](CCC)(c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UUXRMETWOKHDIJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-3-10-17(13-8-6-5-7-9-13)15(24)22(16(25)18-17)12-14-19-20-21-23(14)11-4-2/h5-9H,3-4,10-12H2,1-2H3,(H,18,25)/t17-/m1/s1.
What are the key properties of (5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-5-propyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 8572186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).