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

C15H21N3O3Si — CID 22018541

IUPACtrimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cncc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O3Si/c1-22(2,3)9-8-21-12-17-11-16-10-15(17)13-4-6-14(7-5-13)18(19)20/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyRBMORIXNTWLWGP-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.77
Rot. Bonds7

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

trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 22018541) has the molecular formula C15H21N3O3Si and a molecular weight of 319.44 g/mol. Its IUPAC name is trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID22018541
Molecular FormulaC15H21N3O3Si
Molecular Weight319.44 g/mol
Exact Mass319.14
IUPAC Nametrimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cncc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O3Si/c1-22(2,3)9-8-21-12-17-11-16-10-15(17)13-4-6-14(7-5-13)18(19)20/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyRBMORIXNTWLWGP-UHFFFAOYSA-N
XLogP3.77
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

trimethyl-[2-[[5-[(E)-2-nitroprop-1-enyl]imidazol-1-yl]methoxy]ethyl]silane
CID 10265860
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
3-(2-trimethylsilylethoxymethyl)pyrimidin-4-one
CID 175839640
2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane
CID 151274728
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 166110620
(4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol
CID 68894749
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
CID 168728003
trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
trimethyl-[2-[[3-(5-nitro-2-pyridinyl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-10-yl]methoxy]ethyl]silane
CID 58078630

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane (CID 22018541) is trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cncc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is RBMORIXNTWLWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3Si/c1-22(2,3)9-8-21-12-17-11-16-10-15(17)13-4-6-14(7-5-13)18(19)20/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 319.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 22018541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).