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

C15H18N2O2 — CID 82300460

IUPAC3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
SMILESCCc1ccc(-c2nc(CCC(=O)O)c(C)[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11-4-6-12(7-5-11)15-16-10(2)13(17-15)8-9-14(18)19/h4-7H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDAUHDADFEPOBCU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.96
Rot. Bonds5

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

3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid (PubChem CID 82300460) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
PubChem CID82300460
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
SMILESCCc1ccc(-c2nc(CCC(=O)O)c(C)[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11-4-6-12(7-5-11)15-16-10(2)13(17-15)8-9-14(18)19/h4-7H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDAUHDADFEPOBCU-UHFFFAOYSA-N
XLogP2.96
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525
3-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301524
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82288733
2-(4-methoxyphenyl)-5-methyl-4-propyl-1H-imidazole
CID 160651748
5-methyl-4-[(4-methylphenyl)methyl]-2-phenyl-1H-imidazole
CID 19419957
4-(2-methoxyethyl)-5-methyl-2-phenyl-1H-imidazole
CID 70591932
2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611424
3-[4-(1H-benzimidazol-2-yl)phenyl]propanoic acid
CID 122561896
3-[5-[(4-ethylphenyl)methyl]-1H-1,2,4-triazol-3-yl]propanoic acid
CID 98016980
3-[5-(4-ethylphenyl)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82133268
4-[4-(hydroxymethyl)-5-methyl-1H-imidazol-2-yl]phenol
CID 135671336
4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]butanoic acid
CID 145363135

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid (CID 82300460) is 3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid is CCc1ccc(-c2nc(CCC(=O)O)c(C)[nH]2)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
The InChIKey is DAUHDADFEPOBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-11-4-6-12(7-5-11)15-16-10(2)13(17-15)8-9-14(18)19/h4-7H,3,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid?
3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid is sourced from PubChem (CID 82300460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).