4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid

C9H12N2O3 — CID 10488111

IUPAC4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid
SMILESCCCc1nc(C(C)=O)c(C(=O)O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-3-4-6-10-7(5(2)12)8(11-6)9(13)14/h3-4H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyVZFPYQMYSIAMPP-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.26
Rot. Bonds4

About 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid

4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid (PubChem CID 10488111) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid
PubChem CID10488111
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid
SMILESCCCc1nc(C(C)=O)c(C(=O)O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-3-4-6-10-7(5(2)12)8(11-6)9(13)14/h3-4H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyVZFPYQMYSIAMPP-UHFFFAOYSA-N
XLogP1.26
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid (CID 10488111) is 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid is CCCc1nc(C(C)=O)c(C(=O)O)[nH]1.
What is the InChIKey of 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid?
The InChIKey is VZFPYQMYSIAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-4-6-10-7(5(2)12)8(11-6)9(13)14/h3-4H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid?
4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-propyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 10488111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).