3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid

C21H17N3O3 — CID 70728951

IUPAC3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid
SMILESO=C(O)CC(c1ccco1)n1cnc(-c2ccccc2)c1-c1cccnc1
InChIInChI=1S/C21H17N3O3/c25-19(26)12-17(18-9-5-11-27-18)24-14-23-20(15-6-2-1-3-7-15)21(24)16-8-4-10-22-13-16/h1-11,13-14,17H,12H2,(H,25,26)
InChIKeyVFUPAINGSYDDAJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.27
Rot. Bonds6

About 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid

3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid (PubChem CID 70728951) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid
PubChem CID70728951
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid
SMILESO=C(O)CC(c1ccco1)n1cnc(-c2ccccc2)c1-c1cccnc1
InChIInChI=1S/C21H17N3O3/c25-19(26)12-17(18-9-5-11-27-18)24-14-23-20(15-6-2-1-3-7-15)21(24)16-8-4-10-22-13-16/h1-11,13-14,17H,12H2,(H,25,26)
InChIKeyVFUPAINGSYDDAJ-UHFFFAOYSA-N
XLogP4.27
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
1-[(R)-furan-2-yl(phenyl)methyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
CID 95215329
5-(furan-2-yl)-1-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole
CID 95123632
2-(3-pyridin-3-yl-1,2,4-triazol-1-yl)acetic acid
CID 82282721
3-(5-pyridin-3-yl-1H-imidazol-2-yl)butanoic acid
CID 116878820
(3R)-3-(furan-2-yl)-N-pyridin-3-yl-3-pyrrol-1-ylpropanamide
CID 92725440
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096
3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine
CID 95200679
3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
CID 83823188
3-(furan-2-yl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 82129783
N-[furan-2-yl(phenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51217877
3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
CID 82471434

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid (CID 70728951) is 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid is O=C(O)CC(c1ccco1)n1cnc(-c2ccccc2)c1-c1cccnc1.
What is the InChIKey of 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid?
The InChIKey is VFUPAINGSYDDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-19(26)12-17(18-9-5-11-27-18)24-14-23-20(15-6-2-1-3-7-15)21(24)16-8-4-10-22-13-16/h1-11,13-14,17H,12H2,(H,25,26).
What are the key properties of 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid?
3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid has a molecular weight of 359.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)propanoic acid is sourced from PubChem (CID 70728951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).