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

C23H26N4O3 — CID 127033010

IUPAC1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one
SMILESCCOc1cc(N2CCN(CCc3ccccc3OC)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C23H26N4O3/c1-3-30-22-14-19(8-9-20(22)18-15-24-25-16-18)27-13-12-26(23(27)28)11-10-17-6-4-5-7-21(17)29-2/h4-9,14-16H,3,10-13H2,1-2H3,(H,24,25)
InChIKeyGDOLUKVUJFNYAX-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.97
Rot. Bonds8

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

1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one (PubChem CID 127033010) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one
PubChem CID127033010
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one
SMILESCCOc1cc(N2CCN(CCc3ccccc3OC)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C23H26N4O3/c1-3-30-22-14-19(8-9-20(22)18-15-24-25-16-18)27-13-12-26(23(27)28)11-10-17-6-4-5-7-21(17)29-2/h4-9,14-16H,3,10-13H2,1-2H3,(H,24,25)
InChIKeyGDOLUKVUJFNYAX-UHFFFAOYSA-N
XLogP3.97
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one (CID 127033010) is 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one is CCOc1cc(N2CCN(CCc3ccccc3OC)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one?
The InChIKey is GDOLUKVUJFNYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-30-22-14-19(8-9-20(22)18-15-24-25-16-18)27-13-12-26(23(27)28)11-10-17-6-4-5-7-21(17)29-2/h4-9,14-16H,3,10-13H2,1-2H3,(H,24,25).
What are the key properties of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one?
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one has a molecular weight of 406.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 127033010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).