(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone

C15H18Cl2FN3O2Si — CID 155711450

IUPAC(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
SMILESC[Si](C)(C)CCOCn1ccnc1C(=O)c1cnc(Cl)c(F)c1Cl
InChIInChI=1S/C15H18Cl2FN3O2Si/c1-24(2,3)7-6-23-9-21-5-4-19-15(21)13(22)10-8-20-14(17)12(18)11(10)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVTQVFSNOSGZWDW-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.27
Rot. Bonds7

About (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone

(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone (PubChem CID 155711450) has the molecular formula C15H18Cl2FN3O2Si and a molecular weight of 390.32 g/mol. Its IUPAC name is (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.

Molecular Properties

Compound Name(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
PubChem CID155711450
Molecular FormulaC15H18Cl2FN3O2Si
Molecular Weight390.32 g/mol
Exact Mass389.05
IUPAC Name(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
SMILESC[Si](C)(C)CCOCn1ccnc1C(=O)c1cnc(Cl)c(F)c1Cl
InChIInChI=1S/C15H18Cl2FN3O2Si/c1-24(2,3)7-6-23-9-21-5-4-19-15(21)13(22)10-8-20-14(17)12(18)11(10)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVTQVFSNOSGZWDW-UHFFFAOYSA-N
XLogP4.27
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The IUPAC name of (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone (CID 155711450) is (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone.
What is the SMILES notation for (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The canonical SMILES for (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone is C[Si](C)(C)CCOCn1ccnc1C(=O)c1cnc(Cl)c(F)c1Cl.
What is the InChIKey of (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
The InChIKey is VTQVFSNOSGZWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2FN3O2Si/c1-24(2,3)7-6-23-9-21-5-4-19-15(21)13(22)10-8-20-14(17)12(18)11(10)16/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone?
(4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone has a molecular weight of 390.32 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-5-fluoro-3-pyridinyl)-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone is sourced from PubChem (CID 155711450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).