trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane

C21H32N4O3Si — CID 156726733

IUPACtrimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ncn(COCC[Si](C)(C)C)c1C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C21H32N4O3Si/c1-17-21(24(15-22-17)16-28-13-14-29(2,3)4)18-9-11-23(12-10-18)19-7-5-6-8-20(19)25(26)27/h5-8,15,18H,9-14,16H2,1-4H3
InChIKeyFJBOKUVNMDHSNO-UHFFFAOYSA-N
MW416.60 g/mol
LogP4.80
Rot. Bonds8

About trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 156726733) has the molecular formula C21H32N4O3Si and a molecular weight of 416.60 g/mol. Its IUPAC name is trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane
PubChem CID156726733
Molecular FormulaC21H32N4O3Si
Molecular Weight416.60 g/mol
Exact Mass416.22
IUPAC Nametrimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ncn(COCC[Si](C)(C)C)c1C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C21H32N4O3Si/c1-17-21(24(15-22-17)16-28-13-14-29(2,3)4)18-9-11-23(12-10-18)19-7-5-6-8-20(19)25(26)27/h5-8,15,18H,9-14,16H2,1-4H3
InChIKeyFJBOKUVNMDHSNO-UHFFFAOYSA-N
XLogP4.80
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 54.80
H-Bond Donors ≤ 50
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluoro-3-methylphenyl)-3-[4-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]piperidin-1-yl]phenyl]ethanamine
CID 156726746
4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine
CID 133279989
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
2-[1-(2-nitrophenyl)piperidin-4-yl]-1,3-benzoxazole
CID 33089272
4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine
CID 71098478
4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
N-[2-(4-ethoxyphenoxy)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9022621
3-methyl-4-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazole
CID 7319779
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 26861360
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(2-nitrophenyl)piperazine
CID 133423532

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane (CID 156726733) is trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane is Cc1ncn(COCC[Si](C)(C)C)c1C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is FJBOKUVNMDHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3Si/c1-17-21(24(15-22-17)16-28-13-14-29(2,3)4)18-9-11-23(12-10-18)19-7-5-6-8-20(19)25(26)27/h5-8,15,18H,9-14,16H2,1-4H3.
What are the key properties of trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 416.60 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-methyl-5-[1-(2-nitrophenyl)piperidin-4-yl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 156726733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).