3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione

C25H21N5O2 — CID 146037870

IUPAC3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C25H21N5O2/c31-23-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)26-24(32)30(23)18-22-17-29(28-27-22)16-19-10-4-1-5-11-19/h1-15,17H,16,18H2,(H,26,32)
InChIKeyFELKVXDNLGDUAT-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.32
Rot. Bonds6

About 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione

3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 146037870) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID146037870
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C25H21N5O2/c31-23-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)26-24(32)30(23)18-22-17-29(28-27-22)16-19-10-4-1-5-11-19/h1-15,17H,16,18H2,(H,26,32)
InChIKeyFELKVXDNLGDUAT-UHFFFAOYSA-N
XLogP3.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide
CID 131955087
(3S,6S,10aS)-N-[(S)-(1-benzyltriazol-4-yl)-phenylmethyl]-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
CID 24754887
1,3-Bis[(1-benzyltriazol-4-yl)methyl]-5-iodopyrimidine-2,4-dione
CID 137642367
(2S,4R)-4-fluoro-1-[2-(1-methyltriazol-4-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 167188625
5-acetyl-1,3-bis[(1-benzyltriazol-4-yl)methyl]-6-methyl-4-phenyl-4H-pyrimidin-2-one
CID 145959823
(2S)-2-[(1-benzhydryltriazol-4-yl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 145960934
US10829480, Example SC_2145
CID 130202394
US10829480, Example SC_2159
CID 130202412
US10829480, Example SC_2163
CID 130202580
3-[(1-benzyltriazol-4-yl)methylcarbamoylamino]-N-(2-phenylethyl)benzamide
CID 70681979
2-[[4-[[(1,4-Dioxonaphthalen-2-yl)amino]methyl]triazol-1-yl]methyl]isoindole-1,3-dione
CID 73346552
(4R)-N-methyl-4-(4-{[(phenylacetyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-L-prolinamide
CID 56752981

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 146037870) is 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is FELKVXDNLGDUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c31-23-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)26-24(32)30(23)18-22-17-29(28-27-22)16-19-10-4-1-5-11-19/h1-15,17H,16,18H2,(H,26,32).
What are the key properties of 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 423.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyltriazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 146037870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).