2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid

C14H16N2O3 — CID 82301560

IUPAC2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(C)[nH]c2CC(=O)O)cc1C
InChIInChI=1S/C14H16N2O3/c1-8-6-10(4-5-12(8)19-3)14-11(7-13(17)18)15-9(2)16-14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQGVCEMKXZZMVON-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.33
Rot. Bonds4

About 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid

2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid (PubChem CID 82301560) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
PubChem CID82301560
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(C)[nH]c2CC(=O)O)cc1C
InChIInChI=1S/C14H16N2O3/c1-8-6-10(4-5-12(8)19-3)14-11(7-13(17)18)15-9(2)16-14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQGVCEMKXZZMVON-UHFFFAOYSA-N
XLogP2.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82132981
2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611871
2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97180987
3-[5-bromo-4-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 84611926
4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560
2-[4-(2,5-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82294206
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210519
2-[4-(4-methoxy-3-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 97180992
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82291070
2-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid (CID 82301560) is 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid is COc1ccc(-c2nc(C)[nH]c2CC(=O)O)cc1C.
What is the InChIKey of 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
The InChIKey is QGVCEMKXZZMVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-6-10(4-5-12(8)19-3)14-11(7-13(17)18)15-9(2)16-14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82301560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).