2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid

C11H19N3O2 — CID 141222067

IUPAC2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid
SMILESCCCNc1nc(CC)n(CC)c1C(=O)O
InChIInChI=1S/C11H19N3O2/c1-4-7-12-10-9(11(15)16)14(6-3)8(5-2)13-10/h12H,4-7H2,1-3H3,(H,15,16)
InChIKeyTVJOPDQJIIALPT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.99
Rot. Bonds6

About 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid

2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid (PubChem CID 141222067) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid
PubChem CID141222067
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid
SMILESCCCNc1nc(CC)n(CC)c1C(=O)O
InChIInChI=1S/C11H19N3O2/c1-4-7-12-10-9(11(15)16)14(6-3)8(5-2)13-10/h12H,4-7H2,1-3H3,(H,15,16)
InChIKeyTVJOPDQJIIALPT-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic 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 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid?
The IUPAC name of 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid (CID 141222067) is 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid.
What is the SMILES notation for 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid?
The canonical SMILES for 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid is CCCNc1nc(CC)n(CC)c1C(=O)O.
What is the InChIKey of 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid?
The InChIKey is TVJOPDQJIIALPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-7-12-10-9(11(15)16)14(6-3)8(5-2)13-10/h12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid?
2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-(propylamino)imidazole-4-carboxylic acid is sourced from PubChem (CID 141222067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).