2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid

C14H16N2O3 — CID 116878624

IUPAC2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
SMILESCOc1cc(C)cc(C)c1-c1cnc(CC(=O)O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-8-4-9(2)14(11(5-8)19-3)10-7-15-12(16-10)6-13(17)18/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySKMKOVRQLQVFMJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.33
Rot. Bonds4

About 2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid

2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid (PubChem CID 116878624) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
PubChem CID116878624
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
SMILESCOc1cc(C)cc(C)c1-c1cnc(CC(=O)O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-8-4-9(2)14(11(5-8)19-3)10-7-15-12(16-10)6-13(17)18/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySKMKOVRQLQVFMJ-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

5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
CID 116878216
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
CID 116880265
1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880786
2-amino-2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881587
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883164
2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid
CID 83850964
2-(3-methoxy-2,5-dimethylphenyl)acetic acid
CID 118998759
2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 82301547
2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
CID 13308736
2-[5,7-dimethyl-2-(2,4,5-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3350180

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid (CID 116878624) is 2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid is COc1cc(C)cc(C)c1-c1cnc(CC(=O)O)[nH]1.
What is the InChIKey of 2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid?
The InChIKey is SKMKOVRQLQVFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-9(2)14(11(5-8)19-3)10-7-15-12(16-10)6-13(17)18/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid?
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-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-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 116878624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).