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

C26H23N5O2 — CID 146037873

IUPAC3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1ccc(Cn2cc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)nn2)cc1
InChIInChI=1S/C26H23N5O2/c1-19-12-14-20(15-13-19)16-30-17-23(28-29-30)18-31-24(32)26(27-25(31)33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,17H,16,18H2,1H3,(H,27,33)
InChIKeyYUDPXSWSUXGWDJ-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.63
Rot. Bonds6

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

3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 146037873) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID146037873
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1ccc(Cn2cc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)nn2)cc1
InChIInChI=1S/C26H23N5O2/c1-19-12-14-20(15-13-19)16-30-17-23(28-29-30)18-31-24(32)26(27-25(31)33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,17H,16,18H2,1H3,(H,27,33)
InChIKeyYUDPXSWSUXGWDJ-UHFFFAOYSA-N
XLogP3.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.63
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
(2S,4S)-1-[4-(aminomethyl)-3-methylbenzoyl]-4-(4-cyclopropyltriazol-1-yl)-N-(2,2-diphenylethyl)pyrrolidine-2-carboxamide
CID 155561184
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-(1-methyltriazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 165138556
(2S,4R)-1-[2-[5-(acetamidomethyl)triazol-1-yl]acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138874
(2S,4R)-1-[2-[5-(aminomethyl)triazol-1-yl]acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138977
(2S,4R)-1-[2-[5-[(dimethylamino)methyl]triazol-1-yl]acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139230
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-(4-methyltriazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139440
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-[4-(trifluoromethyl)triazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 165139516
(2S,4R)-4-fluoro-1-[2-(3-methyltriazol-4-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140687
(2S,4R)-4-fluoro-1-[2-(1-methyltriazol-4-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 167188625
(2S)-2-[(1-benzhydryltriazol-4-yl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 145960934

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 146037873) is 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is Cc1ccc(Cn2cc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)nn2)cc1.
What is the InChIKey of 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is YUDPXSWSUXGWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-19-12-14-20(15-13-19)16-30-17-23(28-29-30)18-31-24(32)26(27-25(31)33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,17H,16,18H2,1H3,(H,27,33).
What are the key properties of 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 146037873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).