1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione

C24H21N5O3 — CID 16743232

IUPAC1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)C12Cc1cc3ccc(Cn4c(=O)n(C)c5ccccc54)nc3cc1C2
InChIInChI=1S/C24H21N5O3/c1-27-19-5-3-4-6-20(19)29(23(27)32)13-17-8-7-14-9-15-11-24(12-16(15)10-18(14)25-17)21(30)26-22(31)28(24)2/h3-10H,11-13H2,1-2H3,(H,26,30,31)
InChIKeyOXSHVXFHWVPUKX-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.96
Rot. Bonds2

About 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione

1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (PubChem CID 16743232) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
PubChem CID16743232
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)C12Cc1cc3ccc(Cn4c(=O)n(C)c5ccccc54)nc3cc1C2
InChIInChI=1S/C24H21N5O3/c1-27-19-5-3-4-6-20(19)29(23(27)32)13-17-8-7-14-9-15-11-24(12-16(15)10-18(14)25-17)21(30)26-22(31)28(24)2/h3-10H,11-13H2,1-2H3,(H,26,30,31)
InChIKeyOXSHVXFHWVPUKX-UHFFFAOYSA-N
XLogP1.96
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.96
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 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione (CID 16743232) is 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is CN1C(=O)NC(=O)C12Cc1cc3ccc(Cn4c(=O)n(C)c5ccccc54)nc3cc1C2.
What is the InChIKey of 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
The InChIKey is OXSHVXFHWVPUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-27-19-5-3-4-6-20(19)29(23(27)32)13-17-8-7-14-9-15-11-24(12-16(15)10-18(14)25-17)21(30)26-22(31)28(24)2/h3-10H,11-13H2,1-2H3,(H,26,30,31).
What are the key properties of 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione?
1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione has a molecular weight of 427.46 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 16743232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).