3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid

C16H18N2O2 — CID 115054937

IUPAC3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(-c2cncn2C2CC2)cc1)C(=O)O
InChIInChI=1S/C16H18N2O2/c1-11(16(19)20)8-12-2-4-13(5-3-12)15-9-17-10-18(15)14-6-7-14/h2-5,9-11,14H,6-8H2,1H3,(H,19,20)
InChIKeySOCMHQMCRVOUQK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds5

About 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid

3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid (PubChem CID 115054937) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid
PubChem CID115054937
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(-c2cncn2C2CC2)cc1)C(=O)O
InChIInChI=1S/C16H18N2O2/c1-11(16(19)20)8-12-2-4-13(5-3-12)15-9-17-10-18(15)14-6-7-14/h2-5,9-11,14H,6-8H2,1H3,(H,19,20)
InChIKeySOCMHQMCRVOUQK-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid
CID 115054935
1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66139864
1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 66142465
2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine
CID 115054959
4-(3-cyclopropylimidazol-4-yl)-2-methyl-4-oxobutanoic acid
CID 66161909
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
5-[4-(3-cyclopentylimidazol-4-yl)phenyl]-2H-benzotriazole;(1-methylcyclopropyl)carbamic acid
CID 129017817
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
CID 66140041
2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid
CID 84737107
3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide
CID 123502442
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
CID 66142482

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid (CID 115054937) is 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid is CC(Cc1ccc(-c2cncn2C2CC2)cc1)C(=O)O.
What is the InChIKey of 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid?
The InChIKey is SOCMHQMCRVOUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(16(19)20)8-12-2-4-13(5-3-12)15-9-17-10-18(15)14-6-7-14/h2-5,9-11,14H,6-8H2,1H3,(H,19,20).
What are the key properties of 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid?
3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyclopropylimidazol-4-yl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 115054937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).