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

C22H24N4O3 — CID 121473138

IUPAC1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cccc(C(C)(CO)N2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C22H24N4O3/c1-22(15-27,18-4-3-5-20(12-18)29-2)26-11-10-25(21(26)28)19-8-6-16(7-9-19)17-13-23-24-14-17/h3-9,12-14,27H,10-11,15H2,1-2H3,(H,23,24)
InChIKeyYUFVWTLQOPZHKP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.23
Rot. Bonds6

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

1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (PubChem CID 121473138) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
PubChem CID121473138
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cccc(C(C)(CO)N2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1
InChIInChI=1S/C22H24N4O3/c1-22(15-27,18-4-3-5-20(12-18)29-2)26-11-10-25(21(26)28)19-8-6-16(7-9-19)17-13-23-24-14-17/h3-9,12-14,27H,10-11,15H2,1-2H3,(H,23,24)
InChIKeyYUFVWTLQOPZHKP-UHFFFAOYSA-N
XLogP3.23
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (CID 121473138) is 1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is COc1cccc(C(C)(CO)N2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1.
What is the InChIKey of 1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The InChIKey is YUFVWTLQOPZHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(15-27,18-4-3-5-20(12-18)29-2)26-11-10-25(21(26)28)19-8-6-16(7-9-19)17-13-23-24-14-17/h3-9,12-14,27H,10-11,15H2,1-2H3,(H,23,24).
What are the key properties of 1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-(3-methoxyphenyl)propan-2-yl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 121473138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).