2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid

C15H18N2O2 — CID 115054902

IUPAC2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2cncn2C(C)C)c1
InChIInChI=1S/C15H18N2O2/c1-10(2)17-9-16-8-14(17)13-6-4-5-12(7-13)11(3)15(18)19/h4-11H,1-3H3,(H,18,19)
InChIKeySIUMXRWCZMEATG-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.32
Rot. Bonds4

About 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid

2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid (PubChem CID 115054902) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
PubChem CID115054902
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2cncn2C(C)C)c1
InChIInChI=1S/C15H18N2O2/c1-10(2)17-9-16-8-14(17)13-6-4-5-12(7-13)11(3)15(18)19/h4-11H,1-3H3,(H,18,19)
InChIKeySIUMXRWCZMEATG-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
CID 115054892
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
1-[2-(3-propan-2-ylimidazol-4-yl)phenyl]ethanone
CID 115036752
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871
5-[3-[(4-fluorophenyl)methoxy]phenyl]-1-propan-2-ylimidazole
CID 15749942
2-[3-(2,5-diaminophenyl)phenyl]propanoic acid
CID 70164461
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-1-propan-2-ylimidazole
CID 15749941
2-[3-[(S)-hydroxy(phenyl)methyl]phenyl]propanoic acid
CID 67709050

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid?
The IUPAC name of 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid (CID 115054902) is 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid is CC(C(=O)O)c1cccc(-c2cncn2C(C)C)c1.
What is the InChIKey of 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid?
The InChIKey is SIUMXRWCZMEATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)17-9-16-8-14(17)13-6-4-5-12(7-13)11(3)15(18)19/h4-11H,1-3H3,(H,18,19).
What are the key properties of 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid?
2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid is sourced from PubChem (CID 115054902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).