5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione

C33H26N8O2 — CID 146037910

IUPAC5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1N(Cc2cn(-c3ccccc3)nn2)C(=O)C(c2ccccc2)(c2ccccc2)N1Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C33H26N8O2/c42-31-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)39(22-28-24-41(37-35-28)30-19-11-4-12-20-30)32(43)38(31)21-27-23-40(36-34-27)29-17-9-3-10-18-29/h1-20,23-24H,21-22H2
InChIKeyZLNVFQVHSYPXFD-UHFFFAOYSA-N
MW566.63 g/mol
LogP4.76
Rot. Bonds8

About 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione

5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 146037910) has the molecular formula C33H26N8O2 and a molecular weight of 566.63 g/mol. Its IUPAC name is 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID146037910
Molecular FormulaC33H26N8O2
Molecular Weight566.63 g/mol
Exact Mass566.22
IUPAC Name5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1N(Cc2cn(-c3ccccc3)nn2)C(=O)C(c2ccccc2)(c2ccccc2)N1Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C33H26N8O2/c42-31-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)39(22-28-24-41(37-35-28)30-19-11-4-12-20-30)32(43)38(31)21-27-23-40(36-34-27)29-17-9-3-10-18-29/h1-20,23-24H,21-22H2
InChIKeyZLNVFQVHSYPXFD-UHFFFAOYSA-N
XLogP4.76
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.63
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-3,3-bis[(1-benzyltriazol-4-yl)methyl]indol-2-one
CID 135022684
3-[(1-Phenyl-1h-1,2,3-triazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037865
3-[(1-Benzyl-1h-1,2,3-triazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037870
3-[[1-(4-Methylbenzyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037873
3-[[1-(3-Nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037880
1,3-Bis[[1-(4-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037929
1,3-Bis[[1-(4-chloro-3-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037933
1,3-Bis[[1-(2-chloro-4-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037934
1-Benzyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 56505138
3-{[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-1,3-diazaspiro[4.5]decane-2,4-dione
CID 163355149
3-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-1,3-diazaspiro[4.5]decane-2,4-dione
CID 163355150
3-{[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-1,3-diazaspiro[4.5]decane-2,4-dione
CID 166600480

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione (CID 146037910) is 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione is O=C1N(Cc2cn(-c3ccccc3)nn2)C(=O)C(c2ccccc2)(c2ccccc2)N1Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZLNVFQVHSYPXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N8O2/c42-31-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)39(22-28-24-41(37-35-28)30-19-11-4-12-20-30)32(43)38(31)21-27-23-40(36-34-27)29-17-9-3-10-18-29/h1-20,23-24H,21-22H2.
What are the key properties of 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione?
5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 566.63 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-1,3-bis[(1-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146037910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).