3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid

C13H14N2O2 — CID 82474293

IUPAC3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
SMILESCc1[nH]c(CCC(=O)O)nc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9-13(10-5-3-2-4-6-10)15-11(14-9)7-8-12(16)17/h2-6H,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGQIULGMJEAJBTE-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.40
Rot. Bonds4

About 3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid

3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid (PubChem CID 82474293) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
PubChem CID82474293
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
SMILESCc1[nH]c(CCC(=O)O)nc1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9-13(10-5-3-2-4-6-10)15-11(14-9)7-8-12(16)17/h2-6H,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGQIULGMJEAJBTE-UHFFFAOYSA-N
XLogP2.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.40
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-phenyl-1H-imidazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid (CID 82474293) is 3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid is Cc1[nH]c(CCC(=O)O)nc1-c1ccccc1.
What is the InChIKey of 3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid?
The InChIKey is GQIULGMJEAJBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-13(10-5-3-2-4-6-10)15-11(14-9)7-8-12(16)17/h2-6H,7-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid?
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.40, 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-phenyl-1H-imidazol-2-yl)propanoic acid is sourced from PubChem (CID 82474293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).