5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid

C10H16N2O3 — CID 19036296

IUPAC5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(C(C)(C)O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-4-5-6-11-7(9(13)14)8(12-6)10(2,3)15/h15H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyFREDNUVVPQMYKQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.29
Rot. Bonds4

About 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid

5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid (PubChem CID 19036296) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid
PubChem CID19036296
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(C(C)(C)O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-4-5-6-11-7(9(13)14)8(12-6)10(2,3)15/h15H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyFREDNUVVPQMYKQ-UHFFFAOYSA-N
XLogP1.29
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid (CID 19036296) is 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid is CCCc1nc(C(=O)O)c(C(C)(C)O)[nH]1.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid?
The InChIKey is FREDNUVVPQMYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-6-11-7(9(13)14)8(12-6)10(2,3)15/h15H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid?
5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 19036296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).