2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane

C15H17ClN2Si — CID 162380622

IUPAC2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc2ncn(C3CC3)c2cc1Cl
InChIInChI=1S/C15H17ClN2Si/c1-19(2,3)7-6-11-8-14-15(9-13(11)16)18(10-17-14)12-4-5-12/h8-10,12H,4-5H2,1-3H3
InChIKeyNOLBTCPMUCHTEY-UHFFFAOYSA-N
MW288.85 g/mol
LogP4.25
Rot. Bonds1

About 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane

2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane (PubChem CID 162380622) has the molecular formula C15H17ClN2Si and a molecular weight of 288.85 g/mol. Its IUPAC name is 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane
PubChem CID162380622
Molecular FormulaC15H17ClN2Si
Molecular Weight288.85 g/mol
Exact Mass288.08
IUPAC Name2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc2ncn(C3CC3)c2cc1Cl
InChIInChI=1S/C15H17ClN2Si/c1-19(2,3)7-6-11-8-14-15(9-13(11)16)18(10-17-14)12-4-5-12/h8-10,12H,4-5H2,1-3H3
InChIKeyNOLBTCPMUCHTEY-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.85
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane (CID 162380622) is 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc2ncn(C3CC3)c2cc1Cl.
What is the InChIKey of 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane?
The InChIKey is NOLBTCPMUCHTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2Si/c1-19(2,3)7-6-11-8-14-15(9-13(11)16)18(10-17-14)12-4-5-12/h8-10,12H,4-5H2,1-3H3.
What are the key properties of 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane?
2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane has a molecular weight of 288.85 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-cyclopropylbenzimidazol-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 162380622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).