4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol

C21H20N4O — CID 50948152

IUPAC4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol
SMILESCc1cc(-c2c(-c3ccccc3)ncn2CCc2ccc(O)cc2)n[nH]1
InChIInChI=1S/C21H20N4O/c1-15-13-19(24-23-15)21-20(17-5-3-2-4-6-17)22-14-25(21)12-11-16-7-9-18(26)10-8-16/h2-10,13-14,26H,11-12H2,1H3,(H,23,24)
InChIKeyHROFRLFELSBBFF-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.20
Rot. Bonds5

About 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol

4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol (PubChem CID 50948152) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol
PubChem CID50948152
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol
SMILESCc1cc(-c2c(-c3ccccc3)ncn2CCc2ccc(O)cc2)n[nH]1
InChIInChI=1S/C21H20N4O/c1-15-13-19(24-23-15)21-20(17-5-3-2-4-6-17)22-14-25(21)12-11-16-7-9-18(26)10-8-16/h2-10,13-14,26H,11-12H2,1H3,(H,23,24)
InChIKeyHROFRLFELSBBFF-UHFFFAOYSA-N
XLogP4.20
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]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-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol?
The IUPAC name of 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol (CID 50948152) is 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol is Cc1cc(-c2c(-c3ccccc3)ncn2CCc2ccc(O)cc2)n[nH]1.
What is the InChIKey of 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol?
The InChIKey is HROFRLFELSBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-13-19(24-23-15)21-20(17-5-3-2-4-6-17)22-14-25(21)12-11-16-7-9-18(26)10-8-16/h2-10,13-14,26H,11-12H2,1H3,(H,23,24).
What are the key properties of 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol?
4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol has a molecular weight of 344.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]phenol is sourced from PubChem (CID 50948152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).