3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine

C18H17F2N3O2 — CID 56863863

IUPAC3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine
SMILESCOc1ccc(-c2nccn2CC(C)Oc2cccnc2)c(F)c1F
InChIInChI=1S/C18H17F2N3O2/c1-12(25-13-4-3-7-21-10-13)11-23-9-8-22-18(23)14-5-6-15(24-2)17(20)16(14)19/h3-10,12H,11H2,1-2H3
InChIKeyYBAYFSGSZPWPBG-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.70
Rot. Bonds6

About 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine

3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine (PubChem CID 56863863) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine.

Molecular Properties

Compound Name3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine
PubChem CID56863863
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine
SMILESCOc1ccc(-c2nccn2CC(C)Oc2cccnc2)c(F)c1F
InChIInChI=1S/C18H17F2N3O2/c1-12(25-13-4-3-7-21-10-13)11-23-9-8-22-18(23)14-5-6-15(24-2)17(20)16(14)19/h3-10,12H,11H2,1-2H3
InChIKeyYBAYFSGSZPWPBG-UHFFFAOYSA-N
XLogP3.70
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Sch 28080
CID 108137
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278
US10093664, Example 3
CID 134590089
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
3-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179301

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine?
The IUPAC name of 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine (CID 56863863) is 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine.
What is the SMILES notation for 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine?
The canonical SMILES for 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine is COc1ccc(-c2nccn2CC(C)Oc2cccnc2)c(F)c1F.
What is the InChIKey of 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine?
The InChIKey is YBAYFSGSZPWPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-12(25-13-4-3-7-21-10-13)11-23-9-8-22-18(23)14-5-6-15(24-2)17(20)16(14)19/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine?
3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine has a molecular weight of 345.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yloxy]pyridine is sourced from PubChem (CID 56863863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).