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

C22H24N4O3 — CID 118238979

IUPAC1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCCOc1cc(N2CCN(Cc3cccc(OC)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H24N4O3/c1-3-29-21-12-18(7-8-20(21)17-13-23-24-14-17)26-10-9-25(22(26)27)15-16-5-4-6-19(11-16)28-2/h4-8,11-14H,3,9-10,15H2,1-2H3,(H,23,24)
InChIKeySFKYZEQMOUJMSR-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.93
Rot. Bonds7

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

1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 118238979) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
PubChem CID118238979
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCCOc1cc(N2CCN(Cc3cccc(OC)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H24N4O3/c1-3-29-21-12-18(7-8-20(21)17-13-23-24-14-17)26-10-9-25(22(26)27)15-16-5-4-6-19(11-16)28-2/h4-8,11-14H,3,9-10,15H2,1-2H3,(H,23,24)
InChIKeySFKYZEQMOUJMSR-UHFFFAOYSA-N
XLogP3.93
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
CID 122671609
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[2-(2-methoxyphenyl)ethyl]imidazolidin-2-one
CID 127033010
1-[(2-methoxyphenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 118239058
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515789
1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
CID 127033011
1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 134564531
1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158605330
1-[4-(3-fluoro-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 140941584
1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 144886983
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one
CID 134254296
3-[(3-chlorophenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238909
1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one
CID 155490053

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (CID 118238979) is 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one is CCOc1cc(N2CCN(Cc3cccc(OC)c3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is SFKYZEQMOUJMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-21-12-18(7-8-20(21)17-13-23-24-14-17)26-10-9-25(22(26)27)15-16-5-4-6-19(11-16)28-2/h4-8,11-14H,3,9-10,15H2,1-2H3,(H,23,24).
What are the key properties of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.93, 7 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-[(3-methoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 118238979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).