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

C14H16N2O3 — CID 82301640

IUPAC2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCOc1c(C)cc(C)cc1-c1nc[nH]c1CC(=O)O
InChIInChI=1S/C14H16N2O3/c1-8-4-9(2)14(19-3)10(5-8)13-11(6-12(17)18)15-7-16-13/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyPCULMCJDQAMNRH-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.33
Rot. Bonds4

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

2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid (PubChem CID 82301640) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
PubChem CID82301640
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
SMILESCOc1c(C)cc(C)cc1-c1nc[nH]c1CC(=O)O
InChIInChI=1S/C14H16N2O3/c1-8-4-9(2)14(19-3)10(5-8)13-11(6-12(17)18)15-7-16-13/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyPCULMCJDQAMNRH-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-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid
CID 82306329
2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82294241
2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
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2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid
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1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
2-[2-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611871
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478093
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
CID 82299158
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid (CID 82301640) is 2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid is COc1c(C)cc(C)cc1-c1nc[nH]c1CC(=O)O.
What is the InChIKey of 2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is PCULMCJDQAMNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-9(2)14(19-3)10(5-8)13-11(6-12(17)18)15-7-16-13/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid?
2-[4-(2-methoxy-3,5-dimethylphenyl)-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-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82301640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).