4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine

C18H25Br2N5OSi — CID 53238799

IUPAC4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine
SMILESCN(C)c1nc2c(-c3cc(Br)c(Br)n3COCC[Si](C)(C)C)nccc2[nH]1
InChIInChI=1S/C18H25Br2N5OSi/c1-24(2)18-22-13-6-7-21-16(15(13)23-18)14-10-12(19)17(20)25(14)11-26-8-9-27(3,4)5/h6-7,10H,8-9,11H2,1-5H3,(H,22,23)
InChIKeyBLICEVKVOVTSLN-UHFFFAOYSA-N
MW515.33 g/mol
LogP5.33
Rot. Bonds7

About 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine

4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 53238799) has the molecular formula C18H25Br2N5OSi and a molecular weight of 515.33 g/mol. Its IUPAC name is 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine
PubChem CID53238799
Molecular FormulaC18H25Br2N5OSi
Molecular Weight515.33 g/mol
Exact Mass513.02
IUPAC Name4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine
SMILESCN(C)c1nc2c(-c3cc(Br)c(Br)n3COCC[Si](C)(C)C)nccc2[nH]1
InChIInChI=1S/C18H25Br2N5OSi/c1-24(2)18-22-13-6-7-21-16(15(13)23-18)14-10-12(19)17(20)25(14)11-26-8-9-27(3,4)5/h6-7,10H,8-9,11H2,1-5H3,(H,22,23)
InChIKeyBLICEVKVOVTSLN-UHFFFAOYSA-N
XLogP5.33
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.33
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine (CID 53238799) is 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine is CN(C)c1nc2c(-c3cc(Br)c(Br)n3COCC[Si](C)(C)C)nccc2[nH]1.
What is the InChIKey of 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is BLICEVKVOVTSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Br2N5OSi/c1-24(2)18-22-13-6-7-21-16(15(13)23-18)14-10-12(19)17(20)25(14)11-26-8-9-27(3,4)5/h6-7,10H,8-9,11H2,1-5H3,(H,22,23).
What are the key properties of 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine?
4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 515.33 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-dibromo-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-N,N-dimethyl-1H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 53238799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).