2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C29H29FN2O3SSi — CID 68902357

IUPAC2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(S(=O)(=O)c3ccc4cc(-c5ccc(F)cc5)ccc4c3)cccc21
InChIInChI=1S/C29H29FN2O3SSi/c1-37(2,3)16-15-35-20-32-19-31-29-27(32)5-4-6-28(29)36(33,34)26-14-11-23-17-22(7-8-24(23)18-26)21-9-12-25(30)13-10-21/h4-14,17-19H,15-16,20H2,1-3H3
InChIKeyWBABDZPEKSZENC-UHFFFAOYSA-N
MW532.71 g/mol
LogP7.14
Rot. Bonds8

About 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 68902357) has the molecular formula C29H29FN2O3SSi and a molecular weight of 532.71 g/mol. Its IUPAC name is 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID68902357
Molecular FormulaC29H29FN2O3SSi
Molecular Weight532.71 g/mol
Exact Mass532.17
IUPAC Name2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(S(=O)(=O)c3ccc4cc(-c5ccc(F)cc5)ccc4c3)cccc21
InChIInChI=1S/C29H29FN2O3SSi/c1-37(2,3)16-15-35-20-32-19-31-29-27(32)5-4-6-28(29)36(33,34)26-14-11-23-17-22(7-8-24(23)18-26)21-9-12-25(30)13-10-21/h4-14,17-19H,15-16,20H2,1-3H3
InChIKeyWBABDZPEKSZENC-UHFFFAOYSA-N
XLogP7.14
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.71
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889327
[6-[(6-fluoro-1H-benzimidazol-4-yl)sulfonyl]-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 66651569
4-[5-(tert-Butoxycarbonylamino-methyl)-5,6,7,8-tetrahydro-naphthalene-2-sulfonyl]-6-fluoro-benzoimidazole-1-carboxylic acid tert-butyl ester
CID 66651729
4-{[6-(4-Fluorophenyl)-2-naphthyl]sulfonyl}-1H-benzimidazole
CID 68898723
6-Fluoro-4-[[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]benzimidazole-1-carboxylic acid
CID 140149027
tert-butyl 4-[[(5R)-5-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfanyl]-6-fluorobenzimidazole-1-carboxylate
CID 143598226
6-fluoro-4-[[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-1H-benzimidazole
CID 143598227
6-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-benzimidazole;methanamine
CID 143248348

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 68902357) is 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc2c(S(=O)(=O)c3ccc4cc(-c5ccc(F)cc5)ccc4c3)cccc21.
What is the InChIKey of 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WBABDZPEKSZENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2O3SSi/c1-37(2,3)16-15-35-20-32-19-31-29-27(32)5-4-6-28(29)36(33,34)26-14-11-23-17-22(7-8-24(23)18-26)21-9-12-25(30)13-10-21/h4-14,17-19H,15-16,20H2,1-3H3.
What are the key properties of 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 532.71 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 68902357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).