1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid

C14H16N2O3 — CID 82301544

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)nc2C)cc1C
InChIInChI=1S/C14H16N2O3/c1-9-6-11(4-5-13(9)19-3)7-16-8-12(14(17)18)15-10(16)2/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyXUINOIXNQCVPGB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.26
Rot. Bonds4

About 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid

1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid (PubChem CID 82301544) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid
PubChem CID82301544
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)nc2C)cc1C
InChIInChI=1S/C14H16N2O3/c1-9-6-11(4-5-13(9)19-3)7-16-8-12(14(17)18)15-10(16)2/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyXUINOIXNQCVPGB-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
2-methyl-1-[(2-methylphenyl)methyl]imidazole-4-carboxylic acid
CID 82288749
1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
CID 145174083
2,6-dichloro-9-[(4-methoxy-3-methylphenyl)methyl]purine
CID 11151441
2-[4-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061983
1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 21249250
2-[(4-methoxy-3-methylphenyl)methyl]-4-methyl-5-oxo-1,2-oxazole-3-carboxylic acid
CID 95480900
2-[(4-methoxy-3-methylphenyl)methylsulfanyl]acetic acid
CID 931256
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82303624
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
1-[(3-chloro-4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 83662613
2-[2-(4-methoxy-3-methylphenyl)ethylsulfanyl]acetic acid
CID 94769435

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid (CID 82301544) is 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid is COc1ccc(Cn2cc(C(=O)O)nc2C)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid?
The InChIKey is XUINOIXNQCVPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-6-11(4-5-13(9)19-3)7-16-8-12(14(17)18)15-10(16)2/h4-6,8H,7H2,1-3H3,(H,17,18).
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid?
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 82301544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).