2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid

C15H12N2O3 — CID 159467325

IUPAC2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1C(=O)C1=CCc2ccccc21
InChIInChI=1S/C15H12N2O3/c1-17-8-12(15(19)20)16-14(17)13(18)11-7-6-9-4-2-3-5-10(9)11/h2-5,7-8H,6H2,1H3,(H,19,20)
InChIKeyYPQWXYZEJWGYNV-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.94
Rot. Bonds3

About 2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid

2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid (PubChem CID 159467325) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid
PubChem CID159467325
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1C(=O)C1=CCc2ccccc21
InChIInChI=1S/C15H12N2O3/c1-17-8-12(15(19)20)16-14(17)13(18)11-7-6-9-4-2-3-5-10(9)11/h2-5,7-8H,6H2,1H3,(H,19,20)
InChIKeyYPQWXYZEJWGYNV-UHFFFAOYSA-N
XLogP1.94
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3H-indene-1-carbonyl)-1-methylimidazole-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-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid (CID 159467325) is 2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid is Cn1cc(C(=O)O)nc1C(=O)C1=CCc2ccccc21.
What is the InChIKey of 2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid?
The InChIKey is YPQWXYZEJWGYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-17-8-12(15(19)20)16-14(17)13(18)11-7-6-9-4-2-3-5-10(9)11/h2-5,7-8H,6H2,1H3,(H,19,20).
What are the key properties of 2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid?
2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 159467325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).