1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione

C19H20N6O3 — CID 135796760

IUPAC1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)C12Cc1cc3nc(C4=NOC5(CCNC5)C4)[nH]c3cc1C2
InChIInChI=1S/C19H20N6O3/c1-25-17(27)23-16(26)19(25)6-10-4-12-13(5-11(10)7-19)22-15(21-12)14-8-18(28-24-14)2-3-20-9-18/h4-5,20H,2-3,6-9H2,1H3,(H,21,22)(H,23,26,27)
InChIKeyNKIYCCLPSOJKLQ-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.44
Rot. Bonds1

About 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione

1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione (PubChem CID 135796760) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione
PubChem CID135796760
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)C12Cc1cc3nc(C4=NOC5(CCNC5)C4)[nH]c3cc1C2
InChIInChI=1S/C19H20N6O3/c1-25-17(27)23-16(26)19(25)6-10-4-12-13(5-11(10)7-19)22-15(21-12)14-8-18(28-24-14)2-3-20-9-18/h4-5,20H,2-3,6-9H2,1H3,(H,21,22)(H,23,26,27)
InChIKeyNKIYCCLPSOJKLQ-UHFFFAOYSA-N
XLogP0.44
TPSA111.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.44
H-Bond Donors ≤ 53
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 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione (CID 135796760) is 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione is CN1C(=O)NC(=O)C12Cc1cc3nc(C4=NOC5(CCNC5)C4)[nH]c3cc1C2.
What is the InChIKey of 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione?
The InChIKey is NKIYCCLPSOJKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-25-17(27)23-16(26)19(25)6-10-4-12-13(5-11(10)7-19)22-15(21-12)14-8-18(28-24-14)2-3-20-9-18/h4-5,20H,2-3,6-9H2,1H3,(H,21,22)(H,23,26,27).
What are the key properties of 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione?
1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione has a molecular weight of 380.41 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 135796760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).