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

C21H22N4O3 — CID 121473156

IUPAC1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cccc(C(CO)N2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C21H22N4O3/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/h2-8,11-13,20,26H,9-10,14H2,1H3,(H,22,23)
InChIKeyAYQLRXTWBJMVHE-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.06
Rot. Bonds6

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

1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (PubChem CID 121473156) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
PubChem CID121473156
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cccc(C(CO)N2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C21H22N4O3/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/h2-8,11-13,20,26H,9-10,14H2,1H3,(H,22,23)
InChIKeyAYQLRXTWBJMVHE-UHFFFAOYSA-N
XLogP3.06
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (CID 121473156) is 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-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]imidazolidin-2-one?
The InChIKey is AYQLRXTWBJMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/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/h2-8,11-13,20,26H,9-10,14H2,1H3,(H,22,23).
What are the key properties of 1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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]imidazolidin-2-one is sourced from PubChem (CID 121473156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).