[4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane

C27H29N3OSi — CID 164796642

IUPAC[4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane
SMILESCC1=NC(C)C(c2c(C)cnc(-c3ccc([Si](C)(C)C)c4c3oc3ccccc34)c2C)=N1
InChIInChI=1S/C27H29N3OSi/c1-15-14-28-25(16(2)23(15)26-17(3)29-18(4)30-26)20-12-13-22(32(5,6)7)24-19-10-8-9-11-21(19)31-27(20)24/h8-14,17H,1-7H3
InChIKeyZBOWJBIXHVVPQV-UHFFFAOYSA-N
MW439.64 g/mol
LogP6.42
Rot. Bonds3

About [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane

[4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane (PubChem CID 164796642) has the molecular formula C27H29N3OSi and a molecular weight of 439.64 g/mol. Its IUPAC name is [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane
PubChem CID164796642
Molecular FormulaC27H29N3OSi
Molecular Weight439.64 g/mol
Exact Mass439.21
IUPAC Name[4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane
SMILESCC1=NC(C)C(c2c(C)cnc(-c3ccc([Si](C)(C)C)c4c3oc3ccccc34)c2C)=N1
InChIInChI=1S/C27H29N3OSi/c1-15-14-28-25(16(2)23(15)26-17(3)29-18(4)30-26)20-12-13-22(32(5,6)7)24-19-10-8-9-11-21(19)31-27(20)24/h8-14,17H,1-7H3
InChIKeyZBOWJBIXHVVPQV-UHFFFAOYSA-N
XLogP6.42
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.64
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-butan-2-yl-5-methyl-2-pyridinyl)dibenzofuran-1-yl]-trimethylsilane
CID 164796829
trimethyl-[4-(5-propan-2-yl-2-pyridinyl)dibenzofuran-1-yl]silane
CID 155608517
trimethyl-(1-phenyl-[1]benzofuro[2,3-c]pyridin-4-yl)silane
CID 155619256
[4-(5-butan-2-yl-4-methyl-2-pyridinyl)dibenzofuran-1-yl]-trimethylsilane
CID 164797005
trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane
CID 164796927
5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733
1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 171576802
trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-5-yl]silane
CID 164797075
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
CID 164796971
2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine
CID 162708001
5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162708849

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane?
The IUPAC name of [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane (CID 164796642) is [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane.
What is the SMILES notation for [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane?
The canonical SMILES for [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane is CC1=NC(C)C(c2c(C)cnc(-c3ccc([Si](C)(C)C)c4c3oc3ccccc34)c2C)=N1.
What is the InChIKey of [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane?
The InChIKey is ZBOWJBIXHVVPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3OSi/c1-15-14-28-25(16(2)23(15)26-17(3)29-18(4)30-26)20-12-13-22(32(5,6)7)24-19-10-8-9-11-21(19)31-27(20)24/h8-14,17H,1-7H3.
What are the key properties of [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane?
[4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane has a molecular weight of 439.64 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,4-dimethyl-4H-imidazol-5-yl)-3,5-dimethyl-2-pyridinyl]dibenzofuran-1-yl]-trimethylsilane is sourced from PubChem (CID 164796642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).