4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol

C19H17N5OS — CID 46984395

IUPAC4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol
SMILESOc1ccc(-c2c(-c3ccccc3)ncn2CCSc2cn[nH]n2)cc1
InChIInChI=1S/C19H17N5OS/c25-16-8-6-15(7-9-16)19-18(14-4-2-1-3-5-14)20-13-24(19)10-11-26-17-12-21-23-22-17/h1-9,12-13,25H,10-11H2,(H,21,22,23)
InChIKeyOGLPVBBCYAOEQC-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.83
Rot. Bonds6

About 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol

4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol (PubChem CID 46984395) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol
PubChem CID46984395
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol
SMILESOc1ccc(-c2c(-c3ccccc3)ncn2CCSc2cn[nH]n2)cc1
InChIInChI=1S/C19H17N5OS/c25-16-8-6-15(7-9-16)19-18(14-4-2-1-3-5-14)20-13-24(19)10-11-26-17-12-21-23-22-17/h1-9,12-13,25H,10-11H2,(H,21,22,23)
InChIKeyOGLPVBBCYAOEQC-UHFFFAOYSA-N
XLogP3.83
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol 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 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol?
The IUPAC name of 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol (CID 46984395) is 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol.
What is the SMILES notation for 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol?
The canonical SMILES for 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol is Oc1ccc(-c2c(-c3ccccc3)ncn2CCSc2cn[nH]n2)cc1.
What is the InChIKey of 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol?
The InChIKey is OGLPVBBCYAOEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c25-16-8-6-15(7-9-16)19-18(14-4-2-1-3-5-14)20-13-24(19)10-11-26-17-12-21-23-22-17/h1-9,12-13,25H,10-11H2,(H,21,22,23).
What are the key properties of 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol?
4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol has a molecular weight of 363.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol is sourced from PubChem (CID 46984395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).