tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane

C37H40N2OSi — CID 166067461

IUPACtert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCc1nc2c(-c3ccc(C4=CCCCC4)cc3)cccc2[nH]1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H40N2OSi/c1-37(2,3)41(31-16-9-5-10-17-31,32-18-11-6-12-19-32)40-27-26-35-38-34-21-13-20-33(36(34)39-35)30-24-22-29(23-25-30)28-14-7-4-8-15-28/h5-6,9-14,16-25H,4,7-8,15,26-27H2,1-3H3,(H,38,39)
InChIKeyZHHHPKSMOSQQBR-UHFFFAOYSA-N
MW556.83 g/mol
LogP8.31
Rot. Bonds8

About tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane (PubChem CID 166067461) has the molecular formula C37H40N2OSi and a molecular weight of 556.83 g/mol. Its IUPAC name is tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane
PubChem CID166067461
Molecular FormulaC37H40N2OSi
Molecular Weight556.83 g/mol
Exact Mass556.29
IUPAC Nametert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCc1nc2c(-c3ccc(C4=CCCCC4)cc3)cccc2[nH]1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H40N2OSi/c1-37(2,3)41(31-16-9-5-10-17-31,32-18-11-6-12-19-32)40-27-26-35-38-34-21-13-20-33(36(34)39-35)30-24-22-29(23-25-30)28-14-7-4-8-15-28/h5-6,9-14,16-25H,4,7-8,15,26-27H2,1-3H3,(H,38,39)
InChIKeyZHHHPKSMOSQQBR-UHFFFAOYSA-N
XLogP8.31
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.83
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid
CID 70132244
1-(2-phenylphenyl)cycloheptene
CID 71332036
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 86086582
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
1-(4-phenylphenyl)cycloheptene
CID 58982123
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane (CID 166067461) is tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane is CC(C)(C)[Si](OCCc1nc2c(-c3ccc(C4=CCCCC4)cc3)cccc2[nH]1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane?
The InChIKey is ZHHHPKSMOSQQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N2OSi/c1-37(2,3)41(31-16-9-5-10-17-31,32-18-11-6-12-19-32)40-27-26-35-38-34-21-13-20-33(36(34)39-35)30-24-22-29(23-25-30)28-14-7-4-8-15-28/h5-6,9-14,16-25H,4,7-8,15,26-27H2,1-3H3,(H,38,39).
What are the key properties of tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane has a molecular weight of 556.83 g/mol, XLogP of 8.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[4-[4-(cyclohexen-1-yl)phenyl]-1H-benzimidazol-2-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 166067461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).