2-propyl-1H-imidazole-4,5-dicarboxylic acid

C8H10N2O4 — CID 10236071

IUPAC2-propyl-1H-imidazole-4,5-dicarboxylic acid
SMILESCCCc1nc(C(=O)O)c(C(=O)O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyBGPZYJSOTDBJMV-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.76
Rot. Bonds4

About 2-propyl-1H-imidazole-4,5-dicarboxylic acid

2-propyl-1H-imidazole-4,5-dicarboxylic acid (PubChem CID 10236071) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-propyl-1H-imidazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-propyl-1H-imidazole-4,5-dicarboxylic acid
PubChem CID10236071
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-propyl-1H-imidazole-4,5-dicarboxylic acid
SMILESCCCc1nc(C(=O)O)c(C(=O)O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyBGPZYJSOTDBJMV-UHFFFAOYSA-N
XLogP0.76
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-propyl-1H-imidazole-4,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-imidazole-4,5-dicarboxylic acid?
The IUPAC name of 2-propyl-1H-imidazole-4,5-dicarboxylic acid (CID 10236071) is 2-propyl-1H-imidazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-propyl-1H-imidazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-propyl-1H-imidazole-4,5-dicarboxylic acid is CCCc1nc(C(=O)O)c(C(=O)O)[nH]1.
What is the InChIKey of 2-propyl-1H-imidazole-4,5-dicarboxylic acid?
The InChIKey is BGPZYJSOTDBJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-propyl-1H-imidazole-4,5-dicarboxylic acid?
2-propyl-1H-imidazole-4,5-dicarboxylic acid has a molecular weight of 198.18 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-imidazole-4,5-dicarboxylic acid is sourced from PubChem (CID 10236071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).