(1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine

C20H38BrN3O3Si — CID 162506696

IUPAC(1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine
SMILESCCC1(CCCCC[C@H](N)c2nc(Br)cn2COCC[Si](C)(C)C)OCCO1
InChIInChI=1S/C20H38BrN3O3Si/c1-5-20(26-11-12-27-20)10-8-6-7-9-17(22)19-23-18(21)15-24(19)16-25-13-14-28(2,3)4/h15,17H,5-14,16,22H2,1-4H3/t17-/m0/s1
InChIKeyBCXVSFSUUMCSOA-KRWDZBQOSA-N
MW476.53 g/mol
LogP5.06
Rot. Bonds13

About (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine

(1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine (PubChem CID 162506696) has the molecular formula C20H38BrN3O3Si and a molecular weight of 476.53 g/mol. Its IUPAC name is (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine
PubChem CID162506696
Molecular FormulaC20H38BrN3O3Si
Molecular Weight476.53 g/mol
Exact Mass475.19
IUPAC Name(1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine
SMILESCCC1(CCCCC[C@H](N)c2nc(Br)cn2COCC[Si](C)(C)C)OCCO1
InChIInChI=1S/C20H38BrN3O3Si/c1-5-20(26-11-12-27-20)10-8-6-7-9-17(22)19-23-18(21)15-24(19)16-25-13-14-28(2,3)4/h15,17H,5-14,16,22H2,1-4H3/t17-/m0/s1
InChIKeyBCXVSFSUUMCSOA-KRWDZBQOSA-N
XLogP5.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.06
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'}

Analyze (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine?
The IUPAC name of (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine (CID 162506696) is (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine.
What is the SMILES notation for (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine?
The canonical SMILES for (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine is CCC1(CCCCC[C@H](N)c2nc(Br)cn2COCC[Si](C)(C)C)OCCO1.
What is the InChIKey of (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine?
The InChIKey is BCXVSFSUUMCSOA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H38BrN3O3Si/c1-5-20(26-11-12-27-20)10-8-6-7-9-17(22)19-23-18(21)15-24(19)16-25-13-14-28(2,3)4/h15,17H,5-14,16,22H2,1-4H3/t17-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine?
(1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine has a molecular weight of 476.53 g/mol, XLogP of 5.06, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-6-(2-ethyl-1,3-dioxolan-2-yl)hexan-1-amine is sourced from PubChem (CID 162506696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).