N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide

C24H29F2N3O4Si — CID 160713359

IUPACN-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide
SMILESCOCc1ccc([C@@H](NC(=O)N2CNC(=O)C2)C(=O)Cc2cc(F)c([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H29F2N3O4Si/c1-33-13-15-5-7-17(8-6-15)22(28-24(32)29-12-21(31)27-14-29)20(30)11-16-9-18(25)23(19(26)10-16)34(2,3)4/h5-10,22H,11-14H2,1-4H3,(H,27,31)(H,28,32)/t22-/m1/s1
InChIKeyRSDNCJBXYOWUNE-JOCHJYFZSA-N
MW489.60 g/mol
LogP2.61
Rot. Bonds8

About N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide

N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide (PubChem CID 160713359) has the molecular formula C24H29F2N3O4Si and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide
PubChem CID160713359
Molecular FormulaC24H29F2N3O4Si
Molecular Weight489.60 g/mol
Exact Mass489.19
IUPAC NameN-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide
SMILESCOCc1ccc([C@@H](NC(=O)N2CNC(=O)C2)C(=O)Cc2cc(F)c([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H29F2N3O4Si/c1-33-13-15-5-7-17(8-6-15)22(28-24(32)29-12-21(31)27-14-29)20(30)11-16-9-18(25)23(19(26)10-16)34(2,3)4/h5-10,22H,11-14H2,1-4H3,(H,27,31)(H,28,32)/t22-/m1/s1
InChIKeyRSDNCJBXYOWUNE-JOCHJYFZSA-N
XLogP2.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide (CID 160713359) is N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide is COCc1ccc([C@@H](NC(=O)N2CNC(=O)C2)C(=O)Cc2cc(F)c([Si](C)(C)C)c(F)c2)cc1.
What is the InChIKey of N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide?
The InChIKey is RSDNCJBXYOWUNE-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29F2N3O4Si/c1-33-13-15-5-7-17(8-6-15)22(28-24(32)29-12-21(31)27-14-29)20(30)11-16-9-18(25)23(19(26)10-16)34(2,3)4/h5-10,22H,11-14H2,1-4H3,(H,27,31)(H,28,32)/t22-/m1/s1.
What are the key properties of N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide?
N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(3,5-difluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 160713359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).