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

C63H66N12O8 — CID 118239058

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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(C)c3)C2=O)ccc1-c1cn[nH]c1.COc1cccc(CN2CCN(c3ccc(-c4cn[nH]c4)cc3OC)C2=O)c1.COc1ccccc1CN1CCN(c2ccc(-c3cn[nH]c3)c(OC)c2)C1=O
InChIInChI=1S/2C21H22N4O3.C21H22N4O2/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;1-15-4-3-5-16(10-15)14-24-8-9-25(21(24)26)18-6-7-19(20(11-18)27-2)17-12-22-23-13-17/h3-7,10-13H,8-9,14H2,1-2H3,(H,22,23);3-8,11-13H,9-10,14H2,1-2H3,(H,22,23);3-7,10-13H,8-9,14H2,1-2H3,(H,22,23)
InChIKeyXATRYLYLFWLFKC-UHFFFAOYSA-N
MW1119.30 g/mol
LogP10.91
Rot. Bonds17

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-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 118239058) has the molecular formula C63H66N12O8 and a molecular weight of 1119.30 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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
PubChem CID118239058
Molecular FormulaC63H66N12O8
Molecular Weight1119.30 g/mol
Exact Mass1118.51
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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(C)c3)C2=O)ccc1-c1cn[nH]c1.COc1cccc(CN2CCN(c3ccc(-c4cn[nH]c4)cc3OC)C2=O)c1.COc1ccccc1CN1CCN(c2ccc(-c3cn[nH]c3)c(OC)c2)C1=O
InChIInChI=1S/2C21H22N4O3.C21H22N4O2/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;1-15-4-3-5-16(10-15)14-24-8-9-25(21(24)26)18-6-7-19(20(11-18)27-2)17-12-22-23-13-17/h3-7,10-13H,8-9,14H2,1-2H3,(H,22,23);3-8,11-13H,9-10,14H2,1-2H3,(H,22,23);3-7,10-13H,8-9,14H2,1-2H3,(H,22,23)
InChIKeyXATRYLYLFWLFKC-UHFFFAOYSA-N
XLogP10.91
TPSA202.84 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.30
LogP ≤ 510.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 118238979
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-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 134564531
1-[4-(3-fluoro-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 140941584
1-[2-(2-chlorophenyl)ethyl]-3-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
CID 127033011
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239100
3-[(3-chlorophenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238909
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515789
1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158605330
1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 123324890
1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 115512911

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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one (CID 118239058) 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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one is COc1cc(N2CCN(Cc3cccc(C)c3)C2=O)ccc1-c1cn[nH]c1.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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is XATRYLYLFWLFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22N4O3.C21H22N4O2/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;1-15-4-3-5-16(10-15)14-24-8-9-25(21(24)26)18-6-7-19(20(11-18)27-2)17-12-22-23-13-17/h3-7,10-13H,8-9,14H2,1-2H3,(H,22,23);3-8,11-13H,9-10,14H2,1-2H3,(H,22,23);3-7,10-13H,8-9,14H2,1-2H3,(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-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one has a molecular weight of 1119.30 g/mol, XLogP of 10.91, 17 rotatable bonds, 3 hydrogen bond donors, and 11 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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 118239058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).