2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine

C22H18ClFN4O — CID 159999953

IUPAC2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(-c3nc(-c4ccc(F)nc4)[nH]c3Cl)c(C)c2)n1
InChIInChI=1S/C22H18ClFN4O/c1-13-10-17(29-12-16-5-3-4-14(2)26-16)7-8-18(13)20-21(23)28-22(27-20)15-6-9-19(24)25-11-15/h3-11H,12H2,1-2H3,(H,27,28)
InChIKeyOIANVUYSHQGNNX-UHFFFAOYSA-N
MW408.86 g/mol
LogP5.52
Rot. Bonds5

About 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine

2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine (PubChem CID 159999953) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine
PubChem CID159999953
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC Name2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(-c3nc(-c4ccc(F)nc4)[nH]c3Cl)c(C)c2)n1
InChIInChI=1S/C22H18ClFN4O/c1-13-10-17(29-12-16-5-3-4-14(2)26-16)7-8-18(13)20-21(23)28-22(27-20)15-6-9-19(24)25-11-15/h3-11H,12H2,1-2H3,(H,27,28)
InChIKeyOIANVUYSHQGNNX-UHFFFAOYSA-N
XLogP5.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine with MolForge

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Related Compounds

2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-6-(trifluoromethyl)pyridine
CID 135373585
2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
CID 129304580
2-[[4-[5-bromo-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-6-(trifluoromethyl)pyridine
CID 129304559
4-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-(trifluoromethyl)pyridine
CID 129304156
2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine
CID 158864061
2-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-6-methylpyridine
CID 83135260
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine
CID 129304112
2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
CID 129304395
2-methyl-6-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026641
2-[[4-[5-bromo-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-chloro-3-(trifluoromethyl)pyridine
CID 129304561
2-chloro-5-[5-chloro-4-[2-methoxy-4-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
CID 146407416

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine?
The IUPAC name of 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine (CID 159999953) is 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine is Cc1cccc(COc2ccc(-c3nc(-c4ccc(F)nc4)[nH]c3Cl)c(C)c2)n1.
What is the InChIKey of 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine?
The InChIKey is OIANVUYSHQGNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c1-13-10-17(29-12-16-5-3-4-14(2)26-16)7-8-18(13)20-21(23)28-22(27-20)15-6-9-19(24)25-11-15/h3-11H,12H2,1-2H3,(H,27,28).
What are the key properties of 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine?
2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine has a molecular weight of 408.86 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methylphenoxy]methyl]-6-methylpyridine is sourced from PubChem (CID 159999953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).