5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione

C17H25N5O3 — CID 146109734

IUPAC5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCc3[nH]cnc3C23CCOCC3)C1=O
InChIInChI=1S/C17H25N5O3/c1-16(2)14(23)22(15(24)20-16)8-7-21-6-3-12-13(19-11-18-12)17(21)4-9-25-10-5-17/h11H,3-10H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyIKYRZHIQNZMVPR-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.60
Rot. Bonds3

About 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione

5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione (PubChem CID 146109734) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione
PubChem CID146109734
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCc3[nH]cnc3C23CCOCC3)C1=O
InChIInChI=1S/C17H25N5O3/c1-16(2)14(23)22(15(24)20-16)8-7-21-6-3-12-13(19-11-18-12)17(21)4-9-25-10-5-17/h11H,3-10H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyIKYRZHIQNZMVPR-UHFFFAOYSA-N
XLogP0.60
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione (CID 146109734) is 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCc3[nH]cnc3C23CCOCC3)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione?
The InChIKey is IKYRZHIQNZMVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-16(2)14(23)22(15(24)20-16)8-7-21-6-3-12-13(19-11-18-12)17(21)4-9-25-10-5-17/h11H,3-10H2,1-2H3,(H,18,19)(H,20,24).
What are the key properties of 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 146109734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).