1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one

C21H20N4O3 — CID 121473159

IUPAC1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one
SMILESCOc1cccc(C(CO)n2ccn(-c3ccc(-c4cn[nH]c4)cc3)c2=O)c1
InChIInChI=1S/C21H20N4O3/c1-28-19-4-2-3-16(11-19)20(14-26)25-10-9-24(21(25)27)18-7-5-15(6-8-18)17-12-22-23-13-17/h2-13,20,26H,14H2,1H3,(H,22,23)
InChIKeyPSWXAEMYQXFGRU-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.62
Rot. Bonds6

About 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one

1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one (PubChem CID 121473159) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one
PubChem CID121473159
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one
SMILESCOc1cccc(C(CO)n2ccn(-c3ccc(-c4cn[nH]c4)cc3)c2=O)c1
InChIInChI=1S/C21H20N4O3/c1-28-19-4-2-3-16(11-19)20(14-26)25-10-9-24(21(25)27)18-7-5-15(6-8-18)17-12-22-23-13-17/h2-13,20,26H,14H2,1H3,(H,22,23)
InChIKeyPSWXAEMYQXFGRU-UHFFFAOYSA-N
XLogP2.62
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one 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 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one?
The IUPAC name of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one (CID 121473159) is 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one?
The canonical SMILES for 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one is COc1cccc(C(CO)n2ccn(-c3ccc(-c4cn[nH]c4)cc3)c2=O)c1.
What is the InChIKey of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one?
The InChIKey is PSWXAEMYQXFGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-28-19-4-2-3-16(11-19)20(14-26)25-10-9-24(21(25)27)18-7-5-15(6-8-18)17-12-22-23-13-17/h2-13,20,26H,14H2,1H3,(H,22,23).
What are the key properties of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one?
1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one has a molecular weight of 376.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one is sourced from PubChem (CID 121473159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).