1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

C24H27N5O3 — CID 142942886

IUPAC1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESC=O.CCn1cnc(-c2ccccc2)c1.CNc1ccc2c(c1)CC1(C2)NC(=O)NC1=O
InChIInChI=1S/C12H13N3O2.C11H12N2.CH2O/c1-13-9-3-2-7-5-12(6-8(7)4-9)10(16)14-11(17)15-12;1-2-13-8-11(12-9-13)10-6-4-3-5-7-10;1-2/h2-4,13H,5-6H2,1H3,(H2,14,15,16,17);3-9H,2H2,1H3;1H2
InChIKeyMPMXAEVNSVLVAC-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.79
Rot. Bonds3

About 1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (PubChem CID 142942886) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
PubChem CID142942886
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESC=O.CCn1cnc(-c2ccccc2)c1.CNc1ccc2c(c1)CC1(C2)NC(=O)NC1=O
InChIInChI=1S/C12H13N3O2.C11H12N2.CH2O/c1-13-9-3-2-7-5-12(6-8(7)4-9)10(16)14-11(17)15-12;1-2-13-8-11(12-9-13)10-6-4-3-5-7-10;1-2/h2-4,13H,5-6H2,1H3,(H2,14,15,16,17);3-9H,2H2,1H3;1H2
InChIKeyMPMXAEVNSVLVAC-UHFFFAOYSA-N
XLogP2.79
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.79
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-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (CID 142942886) is 1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is C=O.CCn1cnc(-c2ccccc2)c1.CNc1ccc2c(c1)CC1(C2)NC(=O)NC1=O.
What is the InChIKey of 1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The InChIKey is MPMXAEVNSVLVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.C11H12N2.CH2O/c1-13-9-3-2-7-5-12(6-8(7)4-9)10(16)14-11(17)15-12;1-2-13-8-11(12-9-13)10-6-4-3-5-7-10;1-2/h2-4,13H,5-6H2,1H3,(H2,14,15,16,17);3-9H,2H2,1H3;1H2.
What are the key properties of 1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione has a molecular weight of 433.51 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 142942886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).