5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine

C23H25F2N3O2 — CID 147762774

IUPAC5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine
SMILESCOc1cc(OCc2ccc(C)nc2)ccc1-c1cnc(C2CCC(F)(F)CC2)[nH]1
InChIInChI=1S/C23H25F2N3O2/c1-15-3-4-16(12-26-15)14-30-18-5-6-19(21(11-18)29-2)20-13-27-22(28-20)17-7-9-23(24,25)10-8-17/h3-6,11-13,17H,7-10,14H2,1-2H3,(H,27,28)
InChIKeyHEKDVLKEIHGWHJ-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.66
Rot. Bonds6

About 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine

5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine (PubChem CID 147762774) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine
PubChem CID147762774
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine
SMILESCOc1cc(OCc2ccc(C)nc2)ccc1-c1cnc(C2CCC(F)(F)CC2)[nH]1
InChIInChI=1S/C23H25F2N3O2/c1-15-3-4-16(12-26-15)14-30-18-5-6-19(21(11-18)29-2)20-13-27-22(28-20)17-7-9-23(24,25)10-8-17/h3-6,11-13,17H,7-10,14H2,1-2H3,(H,27,28)
InChIKeyHEKDVLKEIHGWHJ-UHFFFAOYSA-N
XLogP5.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine with MolForge

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Related Compounds

5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
(R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 25008420
(R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565738
(R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565739
2-(2,4-Dimethoxyphenyl)-3H-imidazo(4,5-b)pyridine
CID 156890
Kallikrein 5-IN-2
CID 138115400
103D5R
CID 11267663
4-[2-(4-Chloro-phenyl)-5-(2,4-dibutoxy-phenyl)-3H-imidazol-4-yl]-pyridine
CID 9891138
4-[5-(4-Fluoro-phenyl)-2-(4-methoxy-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10215420
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102
4-Methoxybenzyl-[4-[2-piperidin-4-yl-5-(3-trifluoromethylphenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl]amine
CID 10529636
4-(4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10639924

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine?
The IUPAC name of 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine (CID 147762774) is 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine.
What is the SMILES notation for 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine?
The canonical SMILES for 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine is COc1cc(OCc2ccc(C)nc2)ccc1-c1cnc(C2CCC(F)(F)CC2)[nH]1.
What is the InChIKey of 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine?
The InChIKey is HEKDVLKEIHGWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-15-3-4-16(12-26-15)14-30-18-5-6-19(21(11-18)29-2)20-13-27-22(28-20)17-7-9-23(24,25)10-8-17/h3-6,11-13,17H,7-10,14H2,1-2H3,(H,27,28).
What are the key properties of 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine?
5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine has a molecular weight of 413.47 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4,4-difluorocyclohexyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-2-methylpyridine is sourced from PubChem (CID 147762774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).