[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane

C29H26N2OSi — CID 168730895

IUPAC[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane
SMILES[2H]C([2H])(c1ccccc1-n1c(-c2cccc3c2oc2ccccc23)nc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C29H26N2OSi/c1-33(2,3)19-20-11-4-7-16-25(20)31-26-17-8-6-15-24(26)30-29(31)23-14-10-13-22-21-12-5-9-18-27(21)32-28(22)23/h4-18H,19H2,1-3H3/i19D2
InChIKeyYWMOONKCRFERAH-FKUWIZNHSA-N
MW448.64 g/mol
LogP8.01
Rot. Bonds4

About [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane

[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane (PubChem CID 168730895) has the molecular formula C29H26N2OSi and a molecular weight of 448.64 g/mol. Its IUPAC name is [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane.

Molecular Properties

Compound Name[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane
PubChem CID168730895
Molecular FormulaC29H26N2OSi
Molecular Weight448.64 g/mol
Exact Mass448.19
IUPAC Name[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane
SMILES[2H]C([2H])(c1ccccc1-n1c(-c2cccc3c2oc2ccccc23)nc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C29H26N2OSi/c1-33(2,3)19-20-11-4-7-16-25(20)31-26-17-8-6-15-24(26)30-29(31)23-14-10-13-22-21-12-5-9-18-27(21)32-28(22)23/h4-18H,19H2,1-3H3/i19D2
InChIKeyYWMOONKCRFERAH-FKUWIZNHSA-N
XLogP8.01
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 58.01
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

2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
2-dibenzofuran-4-yl-1-(9H-fluoren-1-yl)benzimidazole
CID 167355258
8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669158
2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole
CID 156658241
2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium
CID 176644026
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
1-dibenzofuran-4-yl-2-ethylbenzimidazole
CID 118020061
1-dibenzofuran-4-yl-2-[1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
CID 156657603
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
1-benzyl-2-dibenzofuran-4-ylbenzimidazole
CID 156657134
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
2-(1-fluorodibenzofuran-4-yl)-1-(2-phenylphenyl)benzimidazole
CID 156659191

Frequently Asked Questions

What is the IUPAC name of [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane?
The IUPAC name of [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane (CID 168730895) is [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane.
What is the SMILES notation for [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane?
The canonical SMILES for [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane is [2H]C([2H])(c1ccccc1-n1c(-c2cccc3c2oc2ccccc23)nc2ccccc21)[Si](C)(C)C.
What is the InChIKey of [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane?
The InChIKey is YWMOONKCRFERAH-FKUWIZNHSA-N. The full InChI is InChI=1S/C29H26N2OSi/c1-33(2,3)19-20-11-4-7-16-25(20)31-26-17-8-6-15-24(26)30-29(31)23-14-10-13-22-21-12-5-9-18-27(21)32-28(22)23/h4-18H,19H2,1-3H3/i19D2.
What are the key properties of [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane?
[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane has a molecular weight of 448.64 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane is sourced from PubChem (CID 168730895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).