3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid

C14H16N2O3 — CID 116878799

IUPAC3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCOc1ccc(-c2cnc(C(C)CC(=O)O)[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-9(7-13(17)18)14-15-8-12(16-14)10-3-5-11(19-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUOXMUANSGLTRML-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.66
Rot. Bonds5

About 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid

3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid (PubChem CID 116878799) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
PubChem CID116878799
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCOc1ccc(-c2cnc(C(C)CC(=O)O)[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-9(7-13(17)18)14-15-8-12(16-14)10-3-5-11(19-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUOXMUANSGLTRML-UHFFFAOYSA-N
XLogP2.66
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878821
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882
3-(5-pyridin-3-yl-1H-imidazol-2-yl)butanoic acid
CID 116878820
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one
CID 123956504
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878816
3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794
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
tert-butyl 4-methyl-3-[5-[4-[4-[2-[4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentanoate
CID 123634840
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116878737

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid (CID 116878799) is 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid is COc1ccc(-c2cnc(C(C)CC(=O)O)[nH]2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
The InChIKey is UOXMUANSGLTRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(7-13(17)18)14-15-8-12(16-14)10-3-5-11(19-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid is sourced from PubChem (CID 116878799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).