[4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane

C19H20Br2N2Si — CID 101037501

IUPAC[4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)Cn1cnc(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C19H20Br2N2Si/c1-24(2,3)13-23-12-22-18(14-4-8-16(20)9-5-14)19(23)15-6-10-17(21)11-7-15/h4-12H,13H2,1-3H3
InChIKeyNRMDBXDKVKIZQS-UHFFFAOYSA-N
MW464.28 g/mol
LogP6.62
Rot. Bonds4

About [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane

[4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane (PubChem CID 101037501) has the molecular formula C19H20Br2N2Si and a molecular weight of 464.28 g/mol. Its IUPAC name is [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane
PubChem CID101037501
Molecular FormulaC19H20Br2N2Si
Molecular Weight464.28 g/mol
Exact Mass461.98
IUPAC Name[4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)Cn1cnc(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C19H20Br2N2Si/c1-24(2,3)13-23-12-22-18(14-4-8-16(20)9-5-14)19(23)15-6-10-17(21)11-7-15/h4-12H,13H2,1-3H3
InChIKeyNRMDBXDKVKIZQS-UHFFFAOYSA-N
XLogP6.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.28
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane?
The IUPAC name of [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane (CID 101037501) is [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane.
What is the SMILES notation for [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane?
The canonical SMILES for [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane is C[Si](C)(C)Cn1cnc(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane?
The InChIKey is NRMDBXDKVKIZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2Si/c1-24(2,3)13-23-12-22-18(14-4-8-16(20)9-5-14)19(23)15-6-10-17(21)11-7-15/h4-12H,13H2,1-3H3.
What are the key properties of [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane?
[4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane has a molecular weight of 464.28 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-bromophenyl)imidazol-1-yl]methyl-trimethylsilane is sourced from PubChem (CID 101037501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).