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

C14H16N2O3 — CID 82301547

IUPAC2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid
SMILESCOc1ccc(C)cc1Cc1ncc(CC(=O)O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-9-3-4-12(19-2)10(5-9)6-13-15-8-11(16-13)7-14(17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBAQOFKBEHRCBEI-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.94
Rot. Bonds5

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

2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid (PubChem CID 82301547) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid
PubChem CID82301547
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid
SMILESCOc1ccc(C)cc1Cc1ncc(CC(=O)O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-9-3-4-12(19-2)10(5-9)6-13-15-8-11(16-13)7-14(17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBAQOFKBEHRCBEI-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(4-ethoxyphenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 95466646
2-[2-[(4-aminophenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 19797542
2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 95466138
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-[2-(2-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289480
2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 60834543
3-[2-[(3-methoxyphenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 95466644
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 79495074
2-[5-methyl-2-(2-methylpropoxy)phenyl]acetic acid
CID 39103888
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid (CID 82301547) is 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid is COc1ccc(C)cc1Cc1ncc(CC(=O)O)[nH]1.
What is the InChIKey of 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid?
The InChIKey is BAQOFKBEHRCBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-3-4-12(19-2)10(5-9)6-13-15-8-11(16-13)7-14(17)18/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid?
2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82301547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).