4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane

C15H19FN2Si — CID 66598338

IUPAC4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane
SMILESCn1c(CCC#C[Si](C)(C)C)nc2cc(F)ccc21
InChIInChI=1S/C15H19FN2Si/c1-18-14-9-8-12(16)11-13(14)17-15(18)7-5-6-10-19(2,3)4/h8-9,11H,5,7H2,1-4H3
InChIKeyANQCQJJIAZCVNI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.53
Rot. Bonds2

About 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane

4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane (PubChem CID 66598338) has the molecular formula C15H19FN2Si and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane
PubChem CID66598338
Molecular FormulaC15H19FN2Si
Molecular Weight274.41 g/mol
Exact Mass274.13
IUPAC Name4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane
SMILESCn1c(CCC#C[Si](C)(C)C)nc2cc(F)ccc21
InChIInChI=1S/C15H19FN2Si/c1-18-14-9-8-12(16)11-13(14)17-15(18)7-5-6-10-19(2,3)4/h8-9,11H,5,7H2,1-4H3
InChIKeyANQCQJJIAZCVNI-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.53
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-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
CID 82332311
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772670
4-(7-chloro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane
CID 66598391
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
5-fluoro-2-iodo-1-methylbenzimidazole
CID 68858262
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
CID 60783423
N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-(4-methylthiadiazol-5-yl)ethanamine
CID 146144879
[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine
CID 115458013
1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882368

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane?
The IUPAC name of 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane (CID 66598338) is 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane.
What is the SMILES notation for 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane?
The canonical SMILES for 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane is Cn1c(CCC#C[Si](C)(C)C)nc2cc(F)ccc21.
What is the InChIKey of 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane?
The InChIKey is ANQCQJJIAZCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2Si/c1-18-14-9-8-12(16)11-13(14)17-15(18)7-5-6-10-19(2,3)4/h8-9,11H,5,7H2,1-4H3.
What are the key properties of 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane?
4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane has a molecular weight of 274.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane is sourced from PubChem (CID 66598338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).