[1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride

C14H24ClN3OSi — CID 175873605

IUPAC[1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride
SMILESCl.Cn1c(OCC[Si](C)(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C14H23N3OSi.ClH/c1-17-13-6-5-11(10-15)9-12(13)16-14(17)18-7-8-19(2,3)4;/h5-6,9H,7-8,10,15H2,1-4H3;1H
InChIKeyLENGCRGWQVIRTM-UHFFFAOYSA-N
MW313.91 g/mol
LogP3.17
Rot. Bonds5

About [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride

[1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride (PubChem CID 175873605) has the molecular formula C14H24ClN3OSi and a molecular weight of 313.91 g/mol. Its IUPAC name is [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride
PubChem CID175873605
Molecular FormulaC14H24ClN3OSi
Molecular Weight313.91 g/mol
Exact Mass313.14
IUPAC Name[1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride
SMILESCl.Cn1c(OCC[Si](C)(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C14H23N3OSi.ClH/c1-17-13-6-5-11(10-15)9-12(13)16-14(17)18-7-8-19(2,3)4;/h5-6,9H,7-8,10,15H2,1-4H3;1H
InChIKeyLENGCRGWQVIRTM-UHFFFAOYSA-N
XLogP3.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.91
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride (CID 175873605) is [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride is Cl.Cn1c(OCC[Si](C)(C)C)nc2cc(CN)ccc21.
What is the InChIKey of [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride?
The InChIKey is LENGCRGWQVIRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OSi.ClH/c1-17-13-6-5-11(10-15)9-12(13)16-14(17)18-7-8-19(2,3)4;/h5-6,9H,7-8,10,15H2,1-4H3;1H.
What are the key properties of [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride?
[1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride has a molecular weight of 313.91 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(2-trimethylsilylethoxy)benzimidazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 175873605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).