5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid

C14H16N2O3 — CID 116520259

IUPAC5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid
SMILESCc1cc(C)c(C(O)c2[nH]cnc2C(=O)O)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-7-4-8(2)10(9(3)5-7)13(17)11-12(14(18)19)16-6-15-11/h4-6,13,17H,1-3H3,(H,15,16)(H,18,19)
InChIKeyPILZOZRFEPMEQT-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.11
Rot. Bonds3

About 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid

5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid (PubChem CID 116520259) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid
PubChem CID116520259
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid
SMILESCc1cc(C)c(C(O)c2[nH]cnc2C(=O)O)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-7-4-8(2)10(9(3)5-7)13(17)11-12(14(18)19)16-6-15-11/h4-6,13,17H,1-3H3,(H,15,16)(H,18,19)
InChIKeyPILZOZRFEPMEQT-UHFFFAOYSA-N
XLogP2.11
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid (CID 116520259) is 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid is Cc1cc(C)c(C(O)c2[nH]cnc2C(=O)O)c(C)c1.
What is the InChIKey of 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid?
The InChIKey is PILZOZRFEPMEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-7-4-8(2)10(9(3)5-7)13(17)11-12(14(18)19)16-6-15-11/h4-6,13,17H,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid?
5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(2,4,6-trimethylphenyl)methyl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 116520259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).