4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane

C15H19ClN2Si — CID 66598391

IUPAC4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane
SMILESCn1c(CCC#C[Si](C)(C)C)nc2cccc(Cl)c21
InChIInChI=1S/C15H19ClN2Si/c1-18-14(10-5-6-11-19(2,3)4)17-13-9-7-8-12(16)15(13)18/h7-9H,5,10H2,1-4H3
InChIKeyKGIKHUGOJXTCAT-UHFFFAOYSA-N
MW290.87 g/mol
LogP4.04
Rot. Bonds2

About 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane

4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane (PubChem CID 66598391) has the molecular formula C15H19ClN2Si and a molecular weight of 290.87 g/mol. Its IUPAC name is 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane
PubChem CID66598391
Molecular FormulaC15H19ClN2Si
Molecular Weight290.87 g/mol
Exact Mass290.10
IUPAC Name4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane
SMILESCn1c(CCC#C[Si](C)(C)C)nc2cccc(Cl)c21
InChIInChI=1S/C15H19ClN2Si/c1-18-14(10-5-6-11-19(2,3)4)17-13-9-7-8-12(16)15(13)18/h7-9H,5,10H2,1-4H3
InChIKeyKGIKHUGOJXTCAT-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.87
LogP ≤ 54.04
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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Related Compounds

2-but-3-ynyl-7-chloro-1-methylbenzimidazole
CID 86086884
4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane
CID 66598338
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62933636
2-(chloromethyl)-7-fluoro-1-methylbenzimidazole
CID 83428061
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662146
2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 62853148
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
CID 60786927

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane?
The IUPAC name of 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane (CID 66598391) is 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane.
What is the SMILES notation for 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane?
The canonical SMILES for 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane is Cn1c(CCC#C[Si](C)(C)C)nc2cccc(Cl)c21.
What is the InChIKey of 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane?
The InChIKey is KGIKHUGOJXTCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2Si/c1-18-14(10-5-6-11-19(2,3)4)17-13-9-7-8-12(16)15(13)18/h7-9H,5,10H2,1-4H3.
What are the key properties of 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane?
4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane has a molecular weight of 290.87 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane is sourced from PubChem (CID 66598391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).