5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid

C14H16N2O3 — CID 82484395

IUPAC5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
SMILESCc1ncn(-c2ccc(OC(C)C)cc2)c1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-9(2)19-12-6-4-11(5-7-12)16-8-15-10(3)13(16)14(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyQMSJJBJIGXHJFY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.67
Rot. Bonds4

About 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid

5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid (PubChem CID 82484395) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
PubChem CID82484395
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
SMILESCc1ncn(-c2ccc(OC(C)C)cc2)c1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-9(2)19-12-6-4-11(5-7-12)16-8-15-10(3)13(16)14(17)18/h4-9H,1-3H3,(H,17,18)
InChIKeyQMSJJBJIGXHJFY-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylic acid
CID 82478418
4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
CID 63952012
5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
CID 63952218
5-bromo-3-methyl-2-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 84611817
6-bromo-5-methyl-1-(4-propan-2-yloxyphenyl)benzimidazole
CID 134179369
2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid
CID 79874433
3-[(4-ethoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82301541
5-methyl-3-(3-propan-2-yloxypropyl)imidazole-4-carboxylic acid
CID 98014557
3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid
CID 82483342
3-[1-(4-propan-2-yloxyphenyl)triazol-4-yl]propanoic acid
CID 107460448
2-chloro-9-(4-propan-2-yloxyphenyl)purine
CID 134179375
1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol
CID 123252574

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid (CID 82484395) is 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid is Cc1ncn(-c2ccc(OC(C)C)cc2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid?
The InChIKey is QMSJJBJIGXHJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)19-12-6-4-11(5-7-12)16-8-15-10(3)13(16)14(17)18/h4-9H,1-3H3,(H,17,18).
What are the key properties of 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid?
5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 82484395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).