(4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane

C12H15BrN2Si — CID 13392421

IUPAC(4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
SMILESC[Si](C)(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2Si/c1-16(2,10-15-8-7-14-9-15)12-5-3-11(13)4-6-12/h3-9H,10H2,1-2H3
InChIKeySEUGTULZDSBCLB-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.80
Rot. Bonds3

About (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane

(4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane (PubChem CID 13392421) has the molecular formula C12H15BrN2Si and a molecular weight of 295.26 g/mol. Its IUPAC name is (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane.

Molecular Properties

Compound Name(4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
PubChem CID13392421
Molecular FormulaC12H15BrN2Si
Molecular Weight295.26 g/mol
Exact Mass294.02
IUPAC Name(4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
SMILESC[Si](C)(Cn1ccnc1)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2Si/c1-16(2,10-15-8-7-14-9-15)12-5-3-11(13)4-6-12/h3-9H,10H2,1-2H3
InChIKeySEUGTULZDSBCLB-UHFFFAOYSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
CID 13392416
1-[(4-bromophenyl)methyl]-4-(2-imidazol-1-ylethyl)piperazine
CID 90533467
1-[6-(4-bromophenyl)hexyl]imidazole
CID 141475213
imidazol-1-ylmethyl-methoxy-methyl-(4-phenylphenyl)silane
CID 70477499
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749723
N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 43435635
1-[2-(4-bromophenyl)decyl]imidazole
CID 3006849
2-(4-bromophenyl)-2-(imidazol-1-ylmethyl)pentanenitrile
CID 23339929
imidazol-1-ylmethyl-diphenyl-prop-1-enylsilane
CID 67903861
ethenyl-(imidazol-1-ylmethyl)-methyl-(1-phenylethenyl)silane
CID 117064117
1-[2-[2-[(4-bromophenyl)methyl]-5,5-diethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547488
butyl-(imidazol-1-ylmethyl)-dimethylsilane
CID 154162646

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane?
The IUPAC name of (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane (CID 13392421) is (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane.
What is the SMILES notation for (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane?
The canonical SMILES for (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane is C[Si](C)(Cn1ccnc1)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane?
The InChIKey is SEUGTULZDSBCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2Si/c1-16(2,10-15-8-7-14-9-15)12-5-3-11(13)4-6-12/h3-9H,10H2,1-2H3.
What are the key properties of (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane?
(4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane has a molecular weight of 295.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(imidazol-1-ylmethyl)-dimethylsilane is sourced from PubChem (CID 13392421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).