3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate

C26H24N3O4- — CID 146047784

IUPAC3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate
SMILESCOc1ccc(-c2cnc(-c3ccc(-c4ccc(OCC(C)(C)C(=O)[O-])nc4)cc3)[nH]2)cc1
InChIInChI=1S/C26H25N3O4/c1-26(2,25(30)31)16-33-23-13-10-20(14-27-23)17-4-6-19(7-5-17)24-28-15-22(29-24)18-8-11-21(32-3)12-9-18/h4-15H,16H2,1-3H3,(H,28,29)(H,30,31)/p-1
InChIKeyNRCWEWBPLGCOMU-UHFFFAOYSA-M
MW442.50 g/mol
LogP3.97
Rot. Bonds8

About 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate

3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate (PubChem CID 146047784) has the molecular formula C26H24N3O4- and a molecular weight of 442.50 g/mol. Its IUPAC name is 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Name3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate
PubChem CID146047784
Molecular FormulaC26H24N3O4-
Molecular Weight442.50 g/mol
Exact Mass442.18
IUPAC Name3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate
SMILESCOc1ccc(-c2cnc(-c3ccc(-c4ccc(OCC(C)(C)C(=O)[O-])nc4)cc3)[nH]2)cc1
InChIInChI=1S/C26H25N3O4/c1-26(2,25(30)31)16-33-23-13-10-20(14-27-23)17-4-6-19(7-5-17)24-28-15-22(29-24)18-8-11-21(32-3)12-9-18/h4-15H,16H2,1-3H3,(H,28,29)(H,30,31)/p-1
InChIKeyNRCWEWBPLGCOMU-UHFFFAOYSA-M
XLogP3.97
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate with MolForge

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
SB 590885
CID 135564599
5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime
CID 135398506
(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
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
3-(4-Cyclopropyloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179286
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
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate?
The IUPAC name of 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate (CID 146047784) is 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate.
What is the SMILES notation for 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate?
The canonical SMILES for 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate is COc1ccc(-c2cnc(-c3ccc(-c4ccc(OCC(C)(C)C(=O)[O-])nc4)cc3)[nH]2)cc1.
What is the InChIKey of 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate?
The InChIKey is NRCWEWBPLGCOMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H25N3O4/c1-26(2,25(30)31)16-33-23-13-10-20(14-27-23)17-4-6-19(7-5-17)24-28-15-22(29-24)18-8-11-21(32-3)12-9-18/h4-15H,16H2,1-3H3,(H,28,29)(H,30,31)/p-1.
What are the key properties of 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate?
3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate has a molecular weight of 442.50 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 146047784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).