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

C22H23ClN4O2 — CID 127033011

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCCOc1cc(N2CCN(CCc3ccccc3Cl)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H23ClN4O2/c1-2-29-21-13-18(7-8-19(21)17-14-24-25-15-17)27-12-11-26(22(27)28)10-9-16-5-3-4-6-20(16)23/h3-8,13-15H,2,9-12H2,1H3,(H,24,25)
InChIKeyHNLXLOOEJSFHQT-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.61
Rot. Bonds7

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

1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (PubChem CID 127033011) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
PubChem CID127033011
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCCOc1cc(N2CCN(CCc3ccccc3Cl)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H23ClN4O2/c1-2-29-21-13-18(7-8-19(21)17-14-24-25-15-17)27-12-11-26(22(27)28)10-9-16-5-3-4-6-20(16)23/h3-8,13-15H,2,9-12H2,1H3,(H,24,25)
InChIKeyHNLXLOOEJSFHQT-UHFFFAOYSA-N
XLogP4.61
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-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-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (CID 127033011) is 1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is CCOc1cc(N2CCN(CCc3ccccc3Cl)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The InChIKey is HNLXLOOEJSFHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-2-29-21-13-18(7-8-19(21)17-14-24-25-15-17)27-12-11-26(22(27)28)10-9-16-5-3-4-6-20(16)23/h3-8,13-15H,2,9-12H2,1H3,(H,24,25).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one has a molecular weight of 410.91 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 127033011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).