trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane

C16H23N2Si+ — CID 11142681

IUPACtrimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane
SMILESC#CCn1c[n+](CCC[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C16H23N2Si/c1-5-11-17-14-18(12-8-13-19(2,3)4)16-10-7-6-9-15(16)17/h1,6-7,9-10,14H,8,11-13H2,2-4H3/q+1
InChIKeyKKAGIXLOKVHGDU-UHFFFAOYSA-N
MW271.46 g/mol
LogP3.29
Rot. Bonds5

About trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane

trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane (PubChem CID 11142681) has the molecular formula C16H23N2Si+ and a molecular weight of 271.46 g/mol. Its IUPAC name is trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane
PubChem CID11142681
Molecular FormulaC16H23N2Si+
Molecular Weight271.46 g/mol
Exact Mass271.16
IUPAC Nametrimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane
SMILESC#CCn1c[n+](CCC[Si](C)(C)C)c2ccccc21
InChIInChI=1S/C16H23N2Si/c1-5-11-17-14-18(12-8-13-19(2,3)4)16-10-7-6-9-15(16)17/h1,6-7,9-10,14H,8,11-13H2,2-4H3/q+1
InChIKeyKKAGIXLOKVHGDU-UHFFFAOYSA-N
XLogP3.29
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethylbenzimidazol-1-ium-1-yl)propyl-trimethylsilane
CID 10450042
1,3-di(undecyl)benzimidazol-3-ium
CID 139045147
3-(3-ethylbenzimidazol-1-ium-1-yl)propan-1-ol bromide
CID 89440320
1-prop-2-enyl-3-[3-(3-prop-2-enylbenzimidazol-1-ium-1-yl)propyl]benzimidazol-3-ium dibromide
CID 139240998
6-(3-ethylbenzimidazol-1-ium-1-yl)hexan-1-ol bromide
CID 89439356
1,3-di(nonyl)benzimidazol-3-ium hexafluorophosphate
CID 139045132
4-(3-prop-2-enylbenzimidazol-1-ium-1-yl)butanenitrile
CID 139241002
1-[4-(benzimidazol-1-yl)butyl]-3-[3-[3-[4-(benzimidazol-1-yl)butyl]benzimidazol-1-ium-1-yl]propyl]benzimidazol-3-ium
CID 11693606
2-[3-(cyanomethyl)benzimidazol-3-ium-1-yl]acetonitrile chloride
CID 44784610
1-[4-(benzimidazol-1-yl)butyl]-3-[3-[3-[4-(benzimidazol-1-yl)butyl]benzimidazol-1-ium-1-yl]propyl]benzimidazol-3-ium diiodide
CID 11693605
3-(3-propylbenzimidazol-3-ium-1-yl)propanenitrile bromide
CID 11109157
1-butyl-3-(3-phenoxypropyl)benzimidazol-3-ium bromide
CID 146109935

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane?
The IUPAC name of trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane (CID 11142681) is trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane.
What is the SMILES notation for trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane?
The canonical SMILES for trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane is C#CCn1c[n+](CCC[Si](C)(C)C)c2ccccc21.
What is the InChIKey of trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane?
The InChIKey is KKAGIXLOKVHGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2Si/c1-5-11-17-14-18(12-8-13-19(2,3)4)16-10-7-6-9-15(16)17/h1,6-7,9-10,14H,8,11-13H2,2-4H3/q+1.
What are the key properties of trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane?
trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane has a molecular weight of 271.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(3-prop-2-ynylbenzimidazol-1-ium-1-yl)propyl]silane is sourced from PubChem (CID 11142681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).