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

C42H44N8O6 — CID 118238957

IUPAC1-[(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
SMILESCOc1cccc(CN2CCN(c3ccc(-c4cn[nH]c4)cc3OC)C2=O)c1.COc1ccccc1CN1CCN(c2ccc(-c3cn[nH]c3)c(OC)c2)C1=O
InChIInChI=1S/2C21H22N4O3/c1-27-18-5-3-4-15(10-18)14-24-8-9-25(21(24)26)19-7-6-16(11-20(19)28-2)17-12-22-23-13-17;1-27-19-6-4-3-5-15(19)14-24-9-10-25(21(24)26)17-7-8-18(20(11-17)28-2)16-12-22-23-13-16/h3-7,10-13H,8-9,14H2,1-2H3,(H,22,23);3-8,11-13H,9-10,14H2,1-2H3,(H,22,23)
InChIKeyNXZWTZWYSPOSRG-UHFFFAOYSA-N
MW756.86 g/mol
LogP7.07
Rot. Bonds12

About 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-[(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 (PubChem CID 118238957) has the molecular formula C42H44N8O6 and a molecular weight of 756.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID118238957
Molecular FormulaC42H44N8O6
Molecular Weight756.86 g/mol
Exact Mass756.34
IUPAC Name1-[(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
SMILESCOc1cccc(CN2CCN(c3ccc(-c4cn[nH]c4)cc3OC)C2=O)c1.COc1ccccc1CN1CCN(c2ccc(-c3cn[nH]c3)c(OC)c2)C1=O
InChIInChI=1S/2C21H22N4O3/c1-27-18-5-3-4-15(10-18)14-24-8-9-25(21(24)26)19-7-6-16(11-20(19)28-2)17-12-22-23-13-17;1-27-19-6-4-3-5-15(19)14-24-9-10-25(21(24)26)17-7-8-18(20(11-17)28-2)16-12-22-23-13-16/h3-7,10-13H,8-9,14H2,1-2H3,(H,22,23);3-8,11-13H,9-10,14H2,1-2H3,(H,22,23)
InChIKeyNXZWTZWYSPOSRG-UHFFFAOYSA-N
XLogP7.07
TPSA141.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.86
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 118238957) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(CN2CCN(c3ccc(-c4cn[nH]c4)cc3OC)C2=O)c1.COc1ccccc1CN1CCN(c2ccc(-c3cn[nH]c3)c(OC)c2)C1=O.
What is the InChIKey of 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?
The InChIKey is NXZWTZWYSPOSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22N4O3/c1-27-18-5-3-4-15(10-18)14-24-8-9-25(21(24)26)19-7-6-16(11-20(19)28-2)17-12-22-23-13-17;1-27-19-6-4-3-5-15(19)14-24-9-10-25(21(24)26)17-7-8-18(20(11-17)28-2)16-12-22-23-13-16/h3-7,10-13H,8-9,14H2,1-2H3,(H,22,23);3-8,11-13H,9-10,14H2,1-2H3,(H,22,23).
What are the key properties of 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-[(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 has a molecular weight of 756.86 g/mol, XLogP of 7.07, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118238957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).