5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid

C12H11N3O2 — CID 82373746

IUPAC5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccn2)[nH]c1C1CC1
InChIInChI=1S/C12H11N3O2/c16-12(17)10-9(7-4-5-7)14-11(15-10)8-3-1-2-6-13-8/h1-3,6-7H,4-5H2,(H,14,15)(H,16,17)
InChIKeyLNWBCECWGXSOQU-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.05
Rot. Bonds3

About 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid

5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid (PubChem CID 82373746) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid
PubChem CID82373746
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccn2)[nH]c1C1CC1
InChIInChI=1S/C12H11N3O2/c16-12(17)10-9(7-4-5-7)14-11(15-10)8-3-1-2-6-13-8/h1-3,6-7H,4-5H2,(H,14,15)(H,16,17)
InChIKeyLNWBCECWGXSOQU-UHFFFAOYSA-N
XLogP2.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-(2-methylphenyl)-1H-imidazole-4-carboxylic acid
CID 82373735
2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821320
4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858546
5-cyclopropyl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521158
5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid
CID 83919432
7-hydroxy-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249155
CID 176706705
CID 176706705
5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82168679
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847
1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid
CID 165493158
1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone
CID 89492426
(E)-but-2-enedioic acid;2-pyridin-2-ylpyridine
CID 139063802

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid (CID 82373746) is 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccn2)[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid?
The InChIKey is LNWBCECWGXSOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)10-9(7-4-5-7)14-11(15-10)8-3-1-2-6-13-8/h1-3,6-7H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid?
5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82373746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).