3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid

C12H13N3O2 — CID 116878821

IUPAC3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H13N3O2/c1-8(6-11(16)17)12-14-7-10(15-12)9-2-4-13-5-3-9/h2-5,7-8H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyURULVHWIOCIYGW-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds4

About 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid

3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid (PubChem CID 116878821) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
PubChem CID116878821
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H13N3O2/c1-8(6-11(16)17)12-14-7-10(15-12)9-2-4-13-5-3-9/h2-5,7-8H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyURULVHWIOCIYGW-UHFFFAOYSA-N
XLogP2.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-pyridin-3-yl-1H-imidazol-2-yl)butanoic acid
CID 116878820
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878799
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878816
4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878677
3-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butanoic acid
CID 116878808
3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794
4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one
CID 123956504
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
3-methyl-N-[(1S)-2-methyl-1-[5-[4-[4-[2-[2-methyl-1-(3-methylbutanoylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]butanamide
CID 130279050
2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid
CID 116878722
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116878737
3-pyrimidin-4-ylbutanoic acid
CID 82597054

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid?
The IUPAC name of 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid (CID 116878821) is 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid.
What is the SMILES notation for 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid?
The canonical SMILES for 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid is CC(CC(=O)O)c1ncc(-c2ccncc2)[nH]1.
What is the InChIKey of 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid?
The InChIKey is URULVHWIOCIYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(6-11(16)17)12-14-7-10(15-12)9-2-4-13-5-3-9/h2-5,7-8H,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid?
3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid has a molecular weight of 231.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid is sourced from PubChem (CID 116878821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).