3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one

C23H30F2N4O2Si — CID 153402862

IUPAC3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
SMILESC=C(C)C(F)(F)c1cccc2c1nc(Cn1cccc(N)c1=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C23H30F2N4O2Si/c1-16(2)23(24,25)17-8-6-10-19-21(17)27-20(14-28-11-7-9-18(26)22(28)30)29(19)15-31-12-13-32(3,4)5/h6-11H,1,12-15,26H2,2-5H3
InChIKeyHUXWJXUUJMYMGO-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.81
Rot. Bonds9

About 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one

3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one (PubChem CID 153402862) has the molecular formula C23H30F2N4O2Si and a molecular weight of 460.60 g/mol. Its IUPAC name is 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
PubChem CID153402862
Molecular FormulaC23H30F2N4O2Si
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC Name3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
SMILESC=C(C)C(F)(F)c1cccc2c1nc(Cn1cccc(N)c1=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C23H30F2N4O2Si/c1-16(2)23(24,25)17-8-6-10-19-21(17)27-20(14-28-11-7-9-18(26)22(28)30)29(19)15-31-12-13-32(3,4)5/h6-11H,1,12-15,26H2,2-5H3
InChIKeyHUXWJXUUJMYMGO-UHFFFAOYSA-N
XLogP4.81
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-[[6-fluoro-4-(2,2,2-trifluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 158449354
3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 157467509
3-amino-1-[[6-fluoro-7-propyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]pyridin-2-one
CID 161172142
[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite
CID 153402733
3-[8-amino-3-oxo-4-(2-trimethylsilylethoxymethyl)quinoxalin-2-yl]-2-fluorobenzohydrazide
CID 59733988
1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 156708080
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
3-amino-1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-1-[1-[[7-[(2,4-difluorophenoxy)methyl]-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-1-[1-[[4-[(2,4-difluorophenoxy)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-8-(dimethylamino)-2,8-dioxooct-6-en-3-yl]carbamate
CID 157489809
3-amino-1-[[6-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,2S)-7-(dimethylamino)-1-[[1-[[6-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamate;methyl N-[(E,2S)-7-(dimethylamino)-1-[[1-[[5-fluoro-7-(1,1,2,2-tetrafluoroethoxy)-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamate
CID 161405847
3-amino-1-[(2,6-difluorophenyl)methyl]pyridin-2-one
CID 114930175
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-bis(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 175715318
2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157316827

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one (CID 153402862) is 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one is C=C(C)C(F)(F)c1cccc2c1nc(Cn1cccc(N)c1=O)n2COCC[Si](C)(C)C.
What is the InChIKey of 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one?
The InChIKey is HUXWJXUUJMYMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4O2Si/c1-16(2)23(24,25)17-8-6-10-19-21(17)27-20(14-28-11-7-9-18(26)22(28)30)29(19)15-31-12-13-32(3,4)5/h6-11H,1,12-15,26H2,2-5H3.
What are the key properties of 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one?
3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one has a molecular weight of 460.60 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[4-(1,1-difluoro-2-methylprop-2-enyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 153402862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).