2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C26H43BN4OSi — CID 11991095

IUPAC2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCCCB(CCCC)n1cccc1C(c1ccc[nH]1)c1nccn1COCC[Si](C)(C)C
InChIInChI=1S/C26H43BN4OSi/c1-6-8-14-27(15-9-7-2)31-18-11-13-24(31)25(23-12-10-16-28-23)26-29-17-19-30(26)22-32-20-21-33(3,4)5/h10-13,16-19,25,28H,6-9,14-15,20-22H2,1-5H3
InChIKeyZLJBFHUDUPPPDG-UHFFFAOYSA-N
MW466.56 g/mol
LogP6.95
Rot. Bonds15

About 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 11991095) has the molecular formula C26H43BN4OSi and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID11991095
Molecular FormulaC26H43BN4OSi
Molecular Weight466.56 g/mol
Exact Mass466.33
IUPAC Name2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCCCB(CCCC)n1cccc1C(c1ccc[nH]1)c1nccn1COCC[Si](C)(C)C
InChIInChI=1S/C26H43BN4OSi/c1-6-8-14-27(15-9-7-2)31-18-11-13-24(31)25(23-12-10-16-28-23)26-29-17-19-30(26)22-32-20-21-33(3,4)5/h10-13,16-19,25,28H,6-9,14-15,20-22H2,1-5H3
InChIKeyZLJBFHUDUPPPDG-UHFFFAOYSA-N
XLogP6.95
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 56.95
H-Bond Donors ≤ 51
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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Related Compounds

2-[[2-[bis(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 11991092
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 13211466
phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 174251990
N-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-amine
CID 155615799
3-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]propan-1-ol
CID 68954118
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59276562
trimethyl-[2-[(3-phenyl-4-pyrrol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169697
trimethyl-[2-[(4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 163832201
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
1-[(2S)-2-[(2S)-2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 10075975
trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 11991095) is 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is CCCCB(CCCC)n1cccc1C(c1ccc[nH]1)c1nccn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZLJBFHUDUPPPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43BN4OSi/c1-6-8-14-27(15-9-7-2)31-18-11-13-24(31)25(23-12-10-16-28-23)26-29-17-19-30(26)22-32-20-21-33(3,4)5/h10-13,16-19,25,28H,6-9,14-15,20-22H2,1-5H3.
What are the key properties of 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 466.56 g/mol, XLogP of 6.95, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-dibutylboranylpyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11991095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).