(5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione

C19H18N6O2 — CID 95047521

IUPAC(5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1cc(-n2nc(-c3ccccc3)nc2CC[C@H]2NC(=O)NC2=O)ccn1
InChIInChI=1S/C19H18N6O2/c1-12-11-14(9-10-20-12)25-16(8-7-15-18(26)23-19(27)21-15)22-17(24-25)13-5-3-2-4-6-13/h2-6,9-11,15H,7-8H2,1H3,(H2,21,23,26,27)/t15-/m1/s1
InChIKeyJVUJIYFJHVISCP-OAHLLOKOSA-N
MW362.39 g/mol
LogP1.78
Rot. Bonds5

About (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione

(5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 95047521) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione
PubChem CID95047521
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name(5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1cc(-n2nc(-c3ccccc3)nc2CC[C@H]2NC(=O)NC2=O)ccn1
InChIInChI=1S/C19H18N6O2/c1-12-11-14(9-10-20-12)25-16(8-7-15-18(26)23-19(27)21-15)22-17(24-25)13-5-3-2-4-6-13/h2-6,9-11,15H,7-8H2,1H3,(H2,21,23,26,27)/t15-/m1/s1
InChIKeyJVUJIYFJHVISCP-OAHLLOKOSA-N
XLogP1.78
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
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 (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione (CID 95047521) is (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione is Cc1cc(-n2nc(-c3ccccc3)nc2CC[C@H]2NC(=O)NC2=O)ccn1.
What is the InChIKey of (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is JVUJIYFJHVISCP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-11-14(9-10-20-12)25-16(8-7-15-18(26)23-19(27)21-15)22-17(24-25)13-5-3-2-4-6-13/h2-6,9-11,15H,7-8H2,1H3,(H2,21,23,26,27)/t15-/m1/s1.
What are the key properties of (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione?
(5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 362.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[2-(2-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95047521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).