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

C14H16N2O3 — CID 116878678

IUPAC4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCOc1ccccc1-c1cnc(CCCC(=O)O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-19-12-6-3-2-5-10(12)11-9-15-13(16-11)7-4-8-14(17)18/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyHLHLJJZUWLYHDV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.49
Rot. Bonds6

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

4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid (PubChem CID 116878678) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
PubChem CID116878678
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCOc1ccccc1-c1cnc(CCCC(=O)O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-19-12-6-3-2-5-10(12)11-9-15-13(16-11)7-4-8-14(17)18/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyHLHLJJZUWLYHDV-UHFFFAOYSA-N
XLogP2.49
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878905
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
CID 116878237
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71279113
N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60850115
2-amino-2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881506
4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878677
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
2-[2-(2-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289480
3-[2-amino-5-(2-methoxyphenyl)-1H-pyrrol-3-yl]propanoic acid
CID 54472162
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60842087
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid (CID 116878678) is 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid is COc1ccccc1-c1cnc(CCCC(=O)O)[nH]1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
The InChIKey is HLHLJJZUWLYHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-12-6-3-2-5-10(12)11-9-15-13(16-11)7-4-8-14(17)18/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid?
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid is sourced from PubChem (CID 116878678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).