(5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione

C19H17N5O2 — CID 52526860

IUPAC(5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O
InChIInChI=1S/C19H17N5O2/c1-19(14-8-4-2-5-9-14)17(25)23(18(26)21-19)13-15-12-20-24(22-15)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,21,26)/t19-/m0/s1
InChIKeyXGPLUUFADWYNLL-IBGZPJMESA-N
MW347.38 g/mol
LogP2.23
Rot. Bonds4

About (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 52526860) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID52526860
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O
InChIInChI=1S/C19H17N5O2/c1-19(14-8-4-2-5-9-14)17(25)23(18(26)21-19)13-15-12-20-24(22-15)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,21,26)/t19-/m0/s1
InChIKeyXGPLUUFADWYNLL-IBGZPJMESA-N
XLogP2.23
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.23
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

3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 75376279
(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51951203
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
3-[(2,6-dichlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 3887433
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
CID 79353260
(5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 2641564
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
7,7-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]-1,4-diazepan-5-one
CID 126840873
5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 46435513
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione (CID 52526860) is (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione is C[C@@]1(c2ccccc2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O.
What is the InChIKey of (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XGPLUUFADWYNLL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N5O2/c1-19(14-8-4-2-5-9-14)17(25)23(18(26)21-19)13-15-12-20-24(22-15)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,21,26)/t19-/m0/s1.
What are the key properties of (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 347.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-phenyl-3-[(2-phenyltriazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 52526860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).