3-imidazol-1-yl-2H-chromene-6-carboxylic acid

C13H10N2O3 — CID 13287817

IUPAC3-imidazol-1-yl-2H-chromene-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C=C(n1ccnc1)CO2
InChIInChI=1S/C13H10N2O3/c16-13(17)9-1-2-12-10(5-9)6-11(7-18-12)15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)
InChIKeyGJBUEKZGWCKKDD-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.97
Rot. Bonds2

About 3-imidazol-1-yl-2H-chromene-6-carboxylic acid

3-imidazol-1-yl-2H-chromene-6-carboxylic acid (PubChem CID 13287817) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-imidazol-1-yl-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name3-imidazol-1-yl-2H-chromene-6-carboxylic acid
PubChem CID13287817
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-imidazol-1-yl-2H-chromene-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C=C(n1ccnc1)CO2
InChIInChI=1S/C13H10N2O3/c16-13(17)9-1-2-12-10(5-9)6-11(7-18-12)15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)
InChIKeyGJBUEKZGWCKKDD-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2H-chromene-6-carboxylic acid?
The IUPAC name of 3-imidazol-1-yl-2H-chromene-6-carboxylic acid (CID 13287817) is 3-imidazol-1-yl-2H-chromene-6-carboxylic acid.
What is the SMILES notation for 3-imidazol-1-yl-2H-chromene-6-carboxylic acid?
The canonical SMILES for 3-imidazol-1-yl-2H-chromene-6-carboxylic acid is O=C(O)c1ccc2c(c1)C=C(n1ccnc1)CO2.
What is the InChIKey of 3-imidazol-1-yl-2H-chromene-6-carboxylic acid?
The InChIKey is GJBUEKZGWCKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13(17)9-1-2-12-10(5-9)6-11(7-18-12)15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17).
What are the key properties of 3-imidazol-1-yl-2H-chromene-6-carboxylic acid?
3-imidazol-1-yl-2H-chromene-6-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 13287817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).