2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

C21H27BrN2O2Si — CID 46221162

IUPAC2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1nc2c(OCc3ccccc3)cc(Br)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C21H27BrN2O2Si/c1-16-23-21-19(24(16)15-25-10-11-27(2,3)4)12-18(22)13-20(21)26-14-17-8-6-5-7-9-17/h5-9,12-13H,10-11,14-15H2,1-4H3
InChIKeyBVKMBKUZDOHAJH-UHFFFAOYSA-N
MW447.45 g/mol
LogP6.00
Rot. Bonds8

About 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 46221162) has the molecular formula C21H27BrN2O2Si and a molecular weight of 447.45 g/mol. Its IUPAC name is 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID46221162
Molecular FormulaC21H27BrN2O2Si
Molecular Weight447.45 g/mol
Exact Mass446.10
IUPAC Name2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1nc2c(OCc3ccccc3)cc(Br)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C21H27BrN2O2Si/c1-16-23-21-19(24(16)15-25-10-11-27(2,3)4)12-18(22)13-20(21)26-14-17-8-6-5-7-9-17/h5-9,12-13H,10-11,14-15H2,1-4H3
InChIKeyBVKMBKUZDOHAJH-UHFFFAOYSA-N
XLogP6.00
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (CID 46221162) is 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is Cc1nc2c(OCc3ccccc3)cc(Br)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is BVKMBKUZDOHAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O2Si/c1-16-23-21-19(24(16)15-25-10-11-27(2,3)4)12-18(22)13-20(21)26-14-17-8-6-5-7-9-17/h5-9,12-13H,10-11,14-15H2,1-4H3.
What are the key properties of 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 447.45 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 46221162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).