5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid

C13H12N2O2 — CID 82081323

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2ccc3c(c2)CCC3)[nH]1
InChIInChI=1S/C13H12N2O2/c16-13(17)12-14-7-11(15-12)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,14,15)(H,16,17)
InChIKeyNJTDWSWCYXZEOD-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.26
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid

5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid (PubChem CID 82081323) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
PubChem CID82081323
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2ccc3c(c2)CCC3)[nH]1
InChIInChI=1S/C13H12N2O2/c16-13(17)12-14-7-11(15-12)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,14,15)(H,16,17)
InChIKeyNJTDWSWCYXZEOD-UHFFFAOYSA-N
XLogP2.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid (CID 82081323) is 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid is O=C(O)c1ncc(-c2ccc3c(c2)CCC3)[nH]1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid?
The InChIKey is NJTDWSWCYXZEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)12-14-7-11(15-12)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,14,15)(H,16,17).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid?
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 82081323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).