2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane

C16H24Br2N4OSi — CID 53239247

IUPAC2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(C2NCCc3[nH]cnc32)cc(Br)c1Br
InChIInChI=1S/C16H24Br2N4OSi/c1-24(2,3)7-6-23-10-22-13(8-11(17)16(22)18)15-14-12(4-5-19-15)20-9-21-14/h8-9,15,19H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyBCNYMKQZTCMZQZ-UHFFFAOYSA-N
MW476.29 g/mol
LogP4.28
Rot. Bonds6

About 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 53239247) has the molecular formula C16H24Br2N4OSi and a molecular weight of 476.29 g/mol. Its IUPAC name is 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID53239247
Molecular FormulaC16H24Br2N4OSi
Molecular Weight476.29 g/mol
Exact Mass474.01
IUPAC Name2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(C2NCCc3[nH]cnc32)cc(Br)c1Br
InChIInChI=1S/C16H24Br2N4OSi/c1-24(2,3)7-6-23-10-22-13(8-11(17)16(22)18)15-14-12(4-5-19-15)20-9-21-14/h8-9,15,19H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyBCNYMKQZTCMZQZ-UHFFFAOYSA-N
XLogP4.28
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.29
LogP ≤ 54.28
H-Bond Donors ≤ 52
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

tert-butyl N-[4-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]carbamate
CID 53239246
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
(4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95136988
4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 42648455
(4S)-4-(2-ethylsulfanylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95119952
3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
CID 165470353
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900
ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
CID 124518603
N,N-dimethyl-1-[5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)thiophen-3-yl]methanamine
CID 50948902
5-bromo-1H-imidazole;2-[(4-bromoimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 161078247
2-[(4,5-dibromo-2-methoxyimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156708294

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane (CID 53239247) is 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(C2NCCc3[nH]cnc32)cc(Br)c1Br.
What is the InChIKey of 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BCNYMKQZTCMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2N4OSi/c1-24(2,3)7-6-23-10-22-13(8-11(17)16(22)18)15-14-12(4-5-19-15)20-9-21-14/h8-9,15,19H,4-7,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 476.29 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dibromo-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 53239247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).