(9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one

C18H34BrN3O2Si — CID 162506736

IUPAC(9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one
SMILESCCC(=O)CCCCC[C@H](N)c1ncc(Br)n1COCC[Si](C)(C)C
InChIInChI=1S/C18H34BrN3O2Si/c1-5-15(23)9-7-6-8-10-16(20)18-21-13-17(19)22(18)14-24-11-12-25(2,3)4/h13,16H,5-12,14,20H2,1-4H3/t16-/m0/s1
InChIKeyLCQDZYHHOZDEIN-INIZCTEOSA-N
MW432.48 g/mol
LogP4.89
Rot. Bonds13

About (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one

(9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one (PubChem CID 162506736) has the molecular formula C18H34BrN3O2Si and a molecular weight of 432.48 g/mol. Its IUPAC name is (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one.

Molecular Properties

Compound Name(9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one
PubChem CID162506736
Molecular FormulaC18H34BrN3O2Si
Molecular Weight432.48 g/mol
Exact Mass431.16
IUPAC Name(9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one
SMILESCCC(=O)CCCCC[C@H](N)c1ncc(Br)n1COCC[Si](C)(C)C
InChIInChI=1S/C18H34BrN3O2Si/c1-5-15(23)9-7-6-8-10-16(20)18-21-13-17(19)22(18)14-24-11-12-25(2,3)4/h13,16H,5-12,14,20H2,1-4H3/t16-/m0/s1
InChIKeyLCQDZYHHOZDEIN-INIZCTEOSA-N
XLogP4.89
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
(1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine
CID 162506696
(2S)-N-[(1S)-1-[5-(2-methoxy-7-pyrazol-1-ylquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162506758
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
(2S)-N-[(1S)-7-oxo-1-[5-(11-prop-2-enyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonyl]-6-prop-2-enyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162506685
3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 86688715
3-[2-[6-[2-[(1S)-1-[[(2S)-6-azaspiro[2.5]octane-2-carbonyl]amino]-7-oxononyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1-oxoisoquinolin-2-yl]ethoxy]propyl methanesulfonate
CID 164764227
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
(R)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-7-oxononyl]-2-methylpropane-2-sulfinamide
CID 162506824

Frequently Asked Questions

What is the IUPAC name of (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one?
The IUPAC name of (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one (CID 162506736) is (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one.
What is the SMILES notation for (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one?
The canonical SMILES for (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one is CCC(=O)CCCCC[C@H](N)c1ncc(Br)n1COCC[Si](C)(C)C.
What is the InChIKey of (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one?
The InChIKey is LCQDZYHHOZDEIN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H34BrN3O2Si/c1-5-15(23)9-7-6-8-10-16(20)18-21-13-17(19)22(18)14-24-11-12-25(2,3)4/h13,16H,5-12,14,20H2,1-4H3/t16-/m0/s1.
What are the key properties of (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one?
(9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one has a molecular weight of 432.48 g/mol, XLogP of 4.89, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-amino-9-[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]nonan-3-one is sourced from PubChem (CID 162506736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).