2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid

C10H16N2O2 — CID 3011558

IUPAC2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)c(C(C)C)[nH]1
InChIInChI=1S/C10H16N2O2/c1-5(2)7-8(10(13)14)12-9(11-7)6(3)4/h5-6H,1-4H3,(H,11,12)(H,13,14)
InChIKeyGTBNSVZGMABLHP-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.35
Rot. Bonds3

About 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid

2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid (PubChem CID 3011558) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid
PubChem CID3011558
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)c(C(C)C)[nH]1
InChIInChI=1S/C10H16N2O2/c1-5(2)7-8(10(13)14)12-9(11-7)6(3)4/h5-6H,1-4H3,(H,11,12)(H,13,14)
InChIKeyGTBNSVZGMABLHP-UHFFFAOYSA-N
XLogP2.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,5-di(propan-2-yl)-1H-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 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid (CID 3011558) is 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid is CC(C)c1nc(C(=O)O)c(C(C)C)[nH]1.
What is the InChIKey of 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid?
The InChIKey is GTBNSVZGMABLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5(2)7-8(10(13)14)12-9(11-7)6(3)4/h5-6H,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid?
2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 3011558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).