ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate

C23H26N4O4 — CID 155002759

IUPACethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate
SMILESCCOC(=O)C1CN(Cc2cccc(OC)c2)C(O)N1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C23H26N4O4/c1-3-31-22(28)21-15-26(14-16-5-4-6-20(11-16)30-2)23(29)27(21)19-9-7-17(8-10-19)18-12-24-25-13-18/h4-13,21,23,29H,3,14-15H2,1-2H3,(H,24,25)
InChIKeyPYPLGDBZJJNCTB-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.62
Rot. Bonds7

About ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate

ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate (PubChem CID 155002759) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate
PubChem CID155002759
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Nameethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate
SMILESCCOC(=O)C1CN(Cc2cccc(OC)c2)C(O)N1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C23H26N4O4/c1-3-31-22(28)21-15-26(14-16-5-4-6-20(11-16)30-2)23(29)27(21)19-9-7-17(8-10-19)18-12-24-25-13-18/h4-13,21,23,29H,3,14-15H2,1-2H3,(H,24,25)
InChIKeyPYPLGDBZJJNCTB-UHFFFAOYSA-N
XLogP2.62
TPSA90.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate?
The IUPAC name of ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate (CID 155002759) is ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate is CCOC(=O)C1CN(Cc2cccc(OC)c2)C(O)N1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate?
The InChIKey is PYPLGDBZJJNCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-31-22(28)21-15-26(14-16-5-4-6-20(11-16)30-2)23(29)27(21)19-9-7-17(8-10-19)18-12-24-25-13-18/h4-13,21,23,29H,3,14-15H2,1-2H3,(H,24,25).
What are the key properties of ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate?
ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate has a molecular weight of 422.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate is sourced from PubChem (CID 155002759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).