3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione

C19H23N5O3 — CID 72839150

IUPAC3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1nc(C(O)c2ccccc2)nn1C1CCCCC1
InChIInChI=1S/C19H23N5O3/c25-16-11-20-19(27)23(16)12-15-21-18(17(26)13-7-3-1-4-8-13)22-24(15)14-9-5-2-6-10-14/h1,3-4,7-8,14,17,26H,2,5-6,9-12H2,(H,20,27)
InChIKeyURQOYPXHAGNQBT-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.92
Rot. Bonds5

About 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione

3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (PubChem CID 72839150) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
PubChem CID72839150
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1nc(C(O)c2ccccc2)nn1C1CCCCC1
InChIInChI=1S/C19H23N5O3/c25-16-11-20-19(27)23(16)12-15-21-18(17(26)13-7-3-1-4-8-13)22-24(15)14-9-5-2-6-10-14/h1,3-4,7-8,14,17,26H,2,5-6,9-12H2,(H,20,27)
InChIKeyURQOYPXHAGNQBT-UHFFFAOYSA-N
XLogP1.92
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.92
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 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione (CID 72839150) is 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1Cc1nc(C(O)c2ccccc2)nn1C1CCCCC1.
What is the InChIKey of 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is URQOYPXHAGNQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-16-11-20-19(27)23(16)12-15-21-18(17(26)13-7-3-1-4-8-13)22-24(15)14-9-5-2-6-10-14/h1,3-4,7-8,14,17,26H,2,5-6,9-12H2,(H,20,27).
What are the key properties of 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione?
3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 369.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclohexyl-5-[hydroxy(phenyl)methyl]-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72839150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).