3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine

C54H91N15O13Si3 — CID 158441941

IUPAC3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
SMILESC.C.C.COc1ccc(C(=O)Nc2cn(COCC[Si](C)(C)C)cn2)cc1OC.COc1ccc(C(=O)Nc2cnc[nH]2)cc1OC.C[Si](C)(C)CCOCn1cnc(N)c1.C[Si](C)(C)CCOCn1cnc([N+](=O)[O-])c1.O=[N+]([O-])c1cnc[nH]1
InChIInChI=1S/C18H27N3O4Si.C12H13N3O3.C9H17N3O3Si.C9H19N3OSi.C3H3N3O2.3CH4/c1-23-15-7-6-14(10-16(15)24-2)18(22)20-17-11-21(12-19-17)13-25-8-9-26(3,4)5;1-17-9-4-3-8(5-10(9)18-2)12(16)15-11-6-13-7-14-11;1-16(2,3)5-4-15-8-11-6-9(10-7-11)12(13)14;1-14(2,3)5-4-13-8-12-6-9(10)11-7-12;7-6(8)3-1-4-2-5-3;;;/h6-7,10-12H,8-9,13H2,1-5H3,(H,20,22);3-7H,1-2H3,(H,13,14)(H,15,16);6-7H,4-5,8H2,1-3H3;6-7H,4-5,8,10H2,1-3H3;1-2H,(H,4,5);3*1H4
InChIKeyHCXTWXGCMRIJKH-UHFFFAOYSA-N
MW1242.67 g/mol
LogP11.25
Rot. Bonds25

About 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine

3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine (PubChem CID 158441941) has the molecular formula C54H91N15O13Si3 and a molecular weight of 1242.67 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
PubChem CID158441941
Molecular FormulaC54H91N15O13Si3
Molecular Weight1242.67 g/mol
Exact Mass1241.62
IUPAC Name3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
SMILESC.C.C.COc1ccc(C(=O)Nc2cn(COCC[Si](C)(C)C)cn2)cc1OC.COc1ccc(C(=O)Nc2cnc[nH]2)cc1OC.C[Si](C)(C)CCOCn1cnc(N)c1.C[Si](C)(C)CCOCn1cnc([N+](=O)[O-])c1.O=[N+]([O-])c1cnc[nH]1
InChIInChI=1S/C18H27N3O4Si.C12H13N3O3.C9H17N3O3Si.C9H19N3OSi.C3H3N3O2.3CH4/c1-23-15-7-6-14(10-16(15)24-2)18(22)20-17-11-21(12-19-17)13-25-8-9-26(3,4)5;1-17-9-4-3-8(5-10(9)18-2)12(16)15-11-6-13-7-14-11;1-16(2,3)5-4-15-8-11-6-9(10-7-11)12(13)14;1-14(2,3)5-4-13-8-12-6-9(10)11-7-12;7-6(8)3-1-4-2-5-3;;;/h6-7,10-12H,8-9,13H2,1-5H3,(H,20,22);3-7H,1-2H3,(H,13,14)(H,15,16);6-7H,4-5,8H2,1-3H3;6-7H,4-5,8,10H2,1-3H3;1-2H,(H,4,5);3*1H4
InChIKeyHCXTWXGCMRIJKH-UHFFFAOYSA-N
XLogP11.25
TPSA345.93 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001242.67
LogP ≤ 511.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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'}

Analyze 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine with MolForge

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Related Compounds

3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide
CID 130384416
methyl 3-methyl-3-(4-nitroimidazol-1-yl)butanoate;5-nitro-1H-imidazole
CID 87872377
N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 690914
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide
CID 104783039
1-[2-[4-[(2S,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenoxy]ethyl]-4-nitroimidazole
CID 86306096
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
N-(6-chloropyridazin-3-yl)-4-methoxy-3-nitrobenzamide
CID 115608630
4-methoxy-3-nitro-N-pyrimidin-4-ylbenzamide
CID 56944158
1-[(4-methoxy-3-nitrophenyl)methyl]-4-nitroimidazole
CID 1424792
4-methoxy-3-nitro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340733
2-trimethylsilylethyl 5-(3-benzamidopropoxy)-4-methoxy-2-nitrobenzoate
CID 164580225

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine?
The IUPAC name of 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine (CID 158441941) is 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine?
The canonical SMILES for 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine is C.C.C.COc1ccc(C(=O)Nc2cn(COCC[Si](C)(C)C)cn2)cc1OC.COc1ccc(C(=O)Nc2cnc[nH]2)cc1OC.C[Si](C)(C)CCOCn1cnc(N)c1.C[Si](C)(C)CCOCn1cnc([N+](=O)[O-])c1.O=[N+]([O-])c1cnc[nH]1.
What is the InChIKey of 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine?
The InChIKey is HCXTWXGCMRIJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4Si.C12H13N3O3.C9H17N3O3Si.C9H19N3OSi.C3H3N3O2.3CH4/c1-23-15-7-6-14(10-16(15)24-2)18(22)20-17-11-21(12-19-17)13-25-8-9-26(3,4)5;1-17-9-4-3-8(5-10(9)18-2)12(16)15-11-6-13-7-14-11;1-16(2,3)5-4-15-8-11-6-9(10-7-11)12(13)14;1-14(2,3)5-4-13-8-12-6-9(10)11-7-12;7-6(8)3-1-4-2-5-3;;;/h6-7,10-12H,8-9,13H2,1-5H3,(H,20,22);3-7H,1-2H3,(H,13,14)(H,15,16);6-7H,4-5,8H2,1-3H3;6-7H,4-5,8,10H2,1-3H3;1-2H,(H,4,5);3*1H4.
What are the key properties of 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine?
3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine has a molecular weight of 1242.67 g/mol, XLogP of 11.25, 25 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzamide;N-(1H-imidazol-5-yl)-3,4-dimethoxybenzamide;methane;5-nitro-1H-imidazole;trimethyl-[2-[(4-nitroimidazol-1-yl)methoxy]ethyl]silane;1-(2-trimethylsilylethoxymethyl)imidazol-4-amine is sourced from PubChem (CID 158441941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).