3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid

C14H16N2O2 — CID 82478385

IUPAC3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid
SMILESCc1ccccc1-c1nc(CCC(=O)O)[nH]c1C
InChIInChI=1S/C14H16N2O2/c1-9-5-3-4-6-11(9)14-10(2)15-12(16-14)7-8-13(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGPIWKKFGSMENRP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.71
Rot. Bonds4

About 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid

3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid (PubChem CID 82478385) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid
PubChem CID82478385
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid
SMILESCc1ccccc1-c1nc(CCC(=O)O)[nH]c1C
InChIInChI=1S/C14H16N2O2/c1-9-5-3-4-6-11(9)14-10(2)15-12(16-14)7-8-13(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGPIWKKFGSMENRP-UHFFFAOYSA-N
XLogP2.71
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid (CID 82478385) is 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid is Cc1ccccc1-c1nc(CCC(=O)O)[nH]c1C.
What is the InChIKey of 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid?
The InChIKey is GPIWKKFGSMENRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-5-3-4-6-11(9)14-10(2)15-12(16-14)7-8-13(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid?
3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid is sourced from PubChem (CID 82478385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).