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

C12H13N3O2 — CID 116878722

IUPAC2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H13N3O2/c1-12(2,11(16)17)10-14-7-9(15-10)8-3-5-13-6-4-8/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyWZVFUROQCINDBB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.83
Rot. Bonds3

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

2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid (PubChem CID 116878722) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid
PubChem CID116878722
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C12H13N3O2/c1-12(2,11(16)17)10-14-7-9(15-10)8-3-5-13-6-4-8/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyWZVFUROQCINDBB-UHFFFAOYSA-N
XLogP1.83
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878702
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878708
3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878821
bis[(1S)-1-amino-1-(5-phenyl-1H-imidazol-2-yl)ethyl] oxalate
CID 134207850
4-(2-tert-butyl-1H-imidazol-5-yl)benzamide
CID 59836529
(E)-3-(5-pyridin-4-yl-1H-imidazol-2-yl)prop-2-enoic acid
CID 116881005
methyl 2-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]propanoate
CID 116880480
4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878677
2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
CID 116881349
tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 146167371
2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
CID 65457057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid (CID 116878722) is 2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid is CC(C)(C(=O)O)c1ncc(-c2ccncc2)[nH]1.
What is the InChIKey of 2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid?
The InChIKey is WZVFUROQCINDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-12(2,11(16)17)10-14-7-9(15-10)8-3-5-13-6-4-8/h3-7H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid?
2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid has a molecular weight of 231.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid is sourced from PubChem (CID 116878722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).