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

C12H13N3O2 — CID 116878677

IUPAC4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H13N3O2/c16-12(17)3-1-2-11-14-8-10(15-11)9-4-6-13-7-5-9/h4-8H,1-3H2,(H,14,15)(H,16,17)
InChIKeyZHMDKJVATBWJKA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.88
Rot. Bonds5

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

4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid (PubChem CID 116878677) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
PubChem CID116878677
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H13N3O2/c16-12(17)3-1-2-11-14-8-10(15-11)9-4-6-13-7-5-9/h4-8H,1-3H2,(H,14,15)(H,16,17)
InChIKeyZHMDKJVATBWJKA-UHFFFAOYSA-N
XLogP1.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878821
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878678
3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1H-imidazol-2-yl]propanoic acid
CID 19376756
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
CID 174441840
4-[[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 122022151
3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 155232141
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid
CID 23509804
2-methyl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877077
2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid
CID 116878722

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid (CID 116878677) is 4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid is O=C(O)CCCc1ncc(-c2ccncc2)[nH]1.
What is the InChIKey of 4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid?
The InChIKey is ZHMDKJVATBWJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-12(17)3-1-2-11-14-8-10(15-11)9-4-6-13-7-5-9/h4-8H,1-3H2,(H,14,15)(H,16,17).
What are the key properties of 4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid?
4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid has a molecular weight of 231.25 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid is sourced from PubChem (CID 116878677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).