2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane

C38H37BrN2OSi — CID 166067443

IUPAC2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCc1ccc(Cn2c(-c3ccccc3)nc3c(Br)cccc32)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H37BrN2OSi/c1-38(2,3)43(32-16-9-5-10-17-32,33-18-11-6-12-19-33)42-27-26-29-22-24-30(25-23-29)28-41-35-21-13-20-34(39)36(35)40-37(41)31-14-7-4-8-15-31/h4-25H,26-28H2,1-3H3
InChIKeyCHIAULFIEVATSB-UHFFFAOYSA-N
MW645.72 g/mol
LogP8.63
Rot. Bonds9

About 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane

2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane (PubChem CID 166067443) has the molecular formula C38H37BrN2OSi and a molecular weight of 645.72 g/mol. Its IUPAC name is 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane
PubChem CID166067443
Molecular FormulaC38H37BrN2OSi
Molecular Weight645.72 g/mol
Exact Mass644.19
IUPAC Name2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCc1ccc(Cn2c(-c3ccccc3)nc3c(Br)cccc32)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H37BrN2OSi/c1-38(2,3)43(32-16-9-5-10-17-32,33-18-11-6-12-19-33)42-27-26-29-22-24-30(25-23-29)28-41-35-21-13-20-34(39)36(35)40-37(41)31-14-7-4-8-15-31/h4-25H,26-28H2,1-3H3
InChIKeyCHIAULFIEVATSB-UHFFFAOYSA-N
XLogP8.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.72
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]acetate
CID 166067413
tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
CID 88618126
methyl 3-[[4-bromo-2-(3-methoxycarbonylphenyl)benzimidazol-1-yl]methyl]benzoate
CID 166067492
4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole
CID 175774431
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
CID 69439190
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridine-2-carbonitrile
CID 123541169
tert-butyl-dimethyl-[2-(4-triphenylsilylphenyl)ethoxy]silane
CID 58097772
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane (CID 166067443) is 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCc1ccc(Cn2c(-c3ccccc3)nc3c(Br)cccc32)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane?
The InChIKey is CHIAULFIEVATSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37BrN2OSi/c1-38(2,3)43(32-16-9-5-10-17-32,33-18-11-6-12-19-33)42-27-26-29-22-24-30(25-23-29)28-41-35-21-13-20-34(39)36(35)40-37(41)31-14-7-4-8-15-31/h4-25H,26-28H2,1-3H3.
What are the key properties of 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane?
2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane has a molecular weight of 645.72 g/mol, XLogP of 8.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-2-phenylbenzimidazol-1-yl)methyl]phenyl]ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 166067443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).