N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one

C26H35Cl3N4O4Si — CID 68826389

IUPACN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one
SMILESCC(OCn1ccc(=O)cc1)[Si](C)(C)C.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
InChIInChI=1S/C15H16Cl3N3O2.C11H19NO2Si/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-10(15(2,3)4)14-9-12-7-5-11(13)6-8-12/h3,5,8-10H,2,4,6-7H2,1H3;5-8,10H,9H2,1-4H3
InChIKeyBLVIQMVESOUYKT-UHFFFAOYSA-N
MW602.04 g/mol
LogP6.69
Rot. Bonds10

About N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one

N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one (PubChem CID 68826389) has the molecular formula C26H35Cl3N4O4Si and a molecular weight of 602.04 g/mol. Its IUPAC name is N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one.

Molecular Properties

Compound NameN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one
PubChem CID68826389
Molecular FormulaC26H35Cl3N4O4Si
Molecular Weight602.04 g/mol
Exact Mass600.15
IUPAC NameN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one
SMILESCC(OCn1ccc(=O)cc1)[Si](C)(C)C.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
InChIInChI=1S/C15H16Cl3N3O2.C11H19NO2Si/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-10(15(2,3)4)14-9-12-7-5-11(13)6-8-12/h3,5,8-10H,2,4,6-7H2,1H3;5-8,10H,9H2,1-4H3
InChIKeyBLVIQMVESOUYKT-UHFFFAOYSA-N
XLogP6.69
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.04
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(1H-imidazol-2-yl)methanone;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70342778
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70468782
[3,5-dichloro-2-[2-[imidazole-1-carbonyl(propyl)amino]ethoxy]phenyl]chloranium
CID 163802816
2-amino-2-methylpropanoic acid;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 68991935
cyclohexane;ethyl acetate;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70525938
prop-2-enylbenzene;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 173159544
acetonitrile;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;2,2,2-trifluoroacetic acid;hydrate
CID 173012930
6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 67564040
(1-benzylimidazol-2-yl)methanol;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70059621
N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 13044632
1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 87409963
2-(2-chloro-1-propan-2-ylbenzimidazol-4-yl)-4,5-di(propan-2-yl)-1,3-oxazole;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 67053985

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one?
The IUPAC name of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one (CID 68826389) is N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one.
What is the SMILES notation for N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one?
The canonical SMILES for N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one is CC(OCn1ccc(=O)cc1)[Si](C)(C)C.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.
What is the InChIKey of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one?
The InChIKey is BLVIQMVESOUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3N3O2.C11H19NO2Si/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-10(15(2,3)4)14-9-12-7-5-11(13)6-8-12/h3,5,8-10H,2,4,6-7H2,1H3;5-8,10H,9H2,1-4H3.
What are the key properties of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one?
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one has a molecular weight of 602.04 g/mol, XLogP of 6.69, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one is sourced from PubChem (CID 68826389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).