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

C14H16N2O3 — CID 116878905

IUPAC3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
SMILESCOc1ccccc1-c1cnc(CC(C)C(=O)O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-9(14(17)18)7-13-15-8-11(16-13)10-5-3-4-6-12(10)19-2/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXBBTUBHRWBBBMO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.35
Rot. Bonds5

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

3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid (PubChem CID 116878905) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
PubChem CID116878905
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
SMILESCOc1ccccc1-c1cnc(CC(C)C(=O)O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-9(14(17)18)7-13-15-8-11(16-13)10-5-3-4-6-12(10)19-2/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXBBTUBHRWBBBMO-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878678
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882
2-amino-2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881506
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
CID 116878237
tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71279113
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60850115
tert-butyl (E)-3-[4-[[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methyl]phenyl]prop-2-enoate
CID 58740877
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid
CID 116878868
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878261

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid (CID 116878905) is 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid is COc1ccccc1-c1cnc(CC(C)C(=O)O)[nH]1.
What is the InChIKey of 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The InChIKey is XBBTUBHRWBBBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(14(17)18)7-13-15-8-11(16-13)10-5-3-4-6-12(10)19-2/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 116878905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).