1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid

C55H68N4O7 — CID 158890301

IUPAC1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(CCCC2C(=O)N(Cc3ccc(C)c(C)c3)C(=O)N2CC2CC2)cc1.Cc1ccc(Cn2cc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(CC3CC3)c2=O)cc1C
InChIInChI=1S/C29H36N2O4.C26H32N2O3/c1-20-8-9-24(16-21(20)2)17-30-19-25(31(28(30)34)18-23-10-11-23)7-5-6-22-12-14-26(15-13-22)35-29(3,4)27(32)33;1-18-7-8-22(15-19(18)2)17-28-25(29)24(27(26(28)30)16-21-9-10-21)6-4-5-20-11-13-23(31-3)14-12-20/h8-9,12-16,19,23H,5-7,10-11,17-18H2,1-4H3,(H,32,33);7-8,11-15,21,24H,4-6,9-10,16-17H2,1-3H3
InChIKeyJEDKOCLNKIEKQO-UHFFFAOYSA-N
MW897.17 g/mol
LogP10.02
Rot. Bonds20

About 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid

1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid (PubChem CID 158890301) has the molecular formula C55H68N4O7 and a molecular weight of 897.17 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid
PubChem CID158890301
Molecular FormulaC55H68N4O7
Molecular Weight897.17 g/mol
Exact Mass896.51
IUPAC Name1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(CCCC2C(=O)N(Cc3ccc(C)c(C)c3)C(=O)N2CC2CC2)cc1.Cc1ccc(Cn2cc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(CC3CC3)c2=O)cc1C
InChIInChI=1S/C29H36N2O4.C26H32N2O3/c1-20-8-9-24(16-21(20)2)17-30-19-25(31(28(30)34)18-23-10-11-23)7-5-6-22-12-14-26(15-13-22)35-29(3,4)27(32)33;1-18-7-8-22(15-19(18)2)17-28-25(29)24(27(26(28)30)16-21-9-10-21)6-4-5-20-11-13-23(31-3)14-12-20/h8-9,12-16,19,23H,5-7,10-11,17-18H2,1-4H3,(H,32,33);7-8,11-15,21,24H,4-6,9-10,16-17H2,1-3H3
InChIKeyJEDKOCLNKIEKQO-UHFFFAOYSA-N
XLogP10.02
TPSA123.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.17
LogP ≤ 510.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid (CID 158890301) is 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid is COc1ccc(CCCC2C(=O)N(Cc3ccc(C)c(C)c3)C(=O)N2CC2CC2)cc1.Cc1ccc(Cn2cc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(CC3CC3)c2=O)cc1C.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is JEDKOCLNKIEKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4.C26H32N2O3/c1-20-8-9-24(16-21(20)2)17-30-19-25(31(28(30)34)18-23-10-11-23)7-5-6-22-12-14-26(15-13-22)35-29(3,4)27(32)33;1-18-7-8-22(15-19(18)2)17-28-25(29)24(27(26(28)30)16-21-9-10-21)6-4-5-20-11-13-23(31-3)14-12-20/h8-9,12-16,19,23H,5-7,10-11,17-18H2,1-4H3,(H,32,33);7-8,11-15,21,24H,4-6,9-10,16-17H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid?
1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 897.17 g/mol, XLogP of 10.02, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 158890301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).