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

C25H22N3O3- — CID 146047783

IUPAC2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate
SMILESCC(C)(COc1ccc(-c2ccc(-c3ncc(-c4ccccc4)[nH]3)cc2)cn1)C(=O)[O-]
InChIInChI=1S/C25H23N3O3/c1-25(2,24(29)30)16-31-22-13-12-20(14-26-22)17-8-10-19(11-9-17)23-27-15-21(28-23)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,27,28)(H,29,30)/p-1
InChIKeyLIAHTCZICYXNAK-UHFFFAOYSA-M
MW412.47 g/mol
LogP3.96
Rot. Bonds7

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

2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate (PubChem CID 146047783) has the molecular formula C25H22N3O3- and a molecular weight of 412.47 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Name2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate
PubChem CID146047783
Molecular FormulaC25H22N3O3-
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate
SMILESCC(C)(COc1ccc(-c2ccc(-c3ncc(-c4ccccc4)[nH]3)cc2)cn1)C(=O)[O-]
InChIInChI=1S/C25H23N3O3/c1-25(2,24(29)30)16-31-22-13-12-20(14-26-22)17-8-10-19(11-9-17)23-27-15-21(28-23)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,27,28)(H,29,30)/p-1
InChIKeyLIAHTCZICYXNAK-UHFFFAOYSA-M
XLogP3.96
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Tert-Butyl-4-(6-Methoxynaphthalen-2-Yl)-3h-Imidazol-4-Yl)pyridin-2-Amine
CID 56928046
4-[2-tert-butyl-4-(6-methoxy-2-naphthyl)-1H-imidazol-5-yl]pyridine
CID 9820123
4-[5-(4-Fluoro-phenyl)-2-(4-methoxy-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10215420
4-(4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10639924
2-[3-(1H-imidazol-5-yl)propyl]-1-[3-(4-methoxyphenyl)-3-pyridin-2-ylpropyl]guanidine
CID 14660350
2-Benzyloxy-4-[4-(4-fluoro-phenyl)-2-methylsulfanyl-1H-imidazol-5-yl]-pyridin
CID 24906152
(3S)-3-amino-3-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]butanoic acid
CID 25008421
3-[(1E)-1-[8-[(2-propyl-4-pyridin-4-ylimidazol-1-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
CID 136376580
2,2-dimethyl-3-[4-methyl-5-[3-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]pyridin-2-yl]oxypropanoic acid
CID 57411099
3-[(5-{3-fluoro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}-4-methylpyridin-2-yl)oxy]-2,2-dimethylpropanoic acid
CID 57411100
1-{[(5-{3-fluoro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}-4-methylpyridin-2-yl)oxy]methyl}cyclobutanecarboxylic acid
CID 57411218
1-{[(5-{3-chloro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}-4-methylpyridin-2-yl)oxy]methyl}cyclobutanecarboxylic acid
CID 57411331

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate?
The IUPAC name of 2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate (CID 146047783) is 2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate.
What is the SMILES notation for 2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate?
The canonical SMILES for 2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate is CC(C)(COc1ccc(-c2ccc(-c3ncc(-c4ccccc4)[nH]3)cc2)cn1)C(=O)[O-].
What is the InChIKey of 2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate?
The InChIKey is LIAHTCZICYXNAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H23N3O3/c1-25(2,24(29)30)16-31-22-13-12-20(14-26-22)17-8-10-19(11-9-17)23-27-15-21(28-23)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,27,28)(H,29,30)/p-1.
What are the key properties of 2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate?
2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate has a molecular weight of 412.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[5-[4-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 146047783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).