3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione

C14H14ClN5O3 — CID 167840047

IUPAC3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1-c1cn(CCN2C(=O)CNC2=O)nn1
InChIInChI=1S/C14H14ClN5O3/c1-23-12-3-2-9(15)6-10(12)11-8-19(18-17-11)4-5-20-13(21)7-16-14(20)22/h2-3,6,8H,4-5,7H2,1H3,(H,16,22)
InChIKeyUPIIKOFALMOZPG-UHFFFAOYSA-N
MW335.75 g/mol
LogP1.16
Rot. Bonds5

About 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 167840047) has the molecular formula C14H14ClN5O3 and a molecular weight of 335.75 g/mol. Its IUPAC name is 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID167840047
Molecular FormulaC14H14ClN5O3
Molecular Weight335.75 g/mol
Exact Mass335.08
IUPAC Name3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(Cl)cc1-c1cn(CCN2C(=O)CNC2=O)nn1
InChIInChI=1S/C14H14ClN5O3/c1-23-12-3-2-9(15)6-10(12)11-8-19(18-17-11)4-5-20-13(21)7-16-14(20)22/h2-3,6,8H,4-5,7H2,1H3,(H,16,22)
InChIKeyUPIIKOFALMOZPG-UHFFFAOYSA-N
XLogP1.16
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione (CID 167840047) is 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione is COc1ccc(Cl)cc1-c1cn(CCN2C(=O)CNC2=O)nn1.
What is the InChIKey of 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is UPIIKOFALMOZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O3/c1-23-12-3-2-9(15)6-10(12)11-8-19(18-17-11)4-5-20-13(21)7-16-14(20)22/h2-3,6,8H,4-5,7H2,1H3,(H,16,22).
What are the key properties of 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 335.75 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167840047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).