5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid

C15H12N2O2 — CID 116878561

IUPAC5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid
SMILESCc1ccc2cc(-c3cnc(C(=O)O)[nH]3)ccc2c1
InChIInChI=1S/C15H12N2O2/c1-9-2-3-11-7-12(5-4-10(11)6-9)13-8-16-14(17-13)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyDAXLGLAZIMBHSZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.24
Rot. Bonds2

About 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid

5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid (PubChem CID 116878561) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid
PubChem CID116878561
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid
SMILESCc1ccc2cc(-c3cnc(C(=O)O)[nH]3)ccc2c1
InChIInChI=1S/C15H12N2O2/c1-9-2-3-11-7-12(5-4-10(11)6-9)13-8-16-14(17-13)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyDAXLGLAZIMBHSZ-UHFFFAOYSA-N
XLogP3.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-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 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid (CID 116878561) is 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid is Cc1ccc2cc(-c3cnc(C(=O)O)[nH]3)ccc2c1.
What is the InChIKey of 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid?
The InChIKey is DAXLGLAZIMBHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-2-3-11-7-12(5-4-10(11)6-9)13-8-16-14(17-13)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid?
5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylnaphthalen-2-yl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 116878561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).