1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid

C19H16N2O2 — CID 59324919

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid
SMILESO=C(O)c1ncn(C2CCc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-19(23)17-18(14-7-2-1-3-8-14)21(12-20-17)16-11-10-13-6-4-5-9-15(13)16/h1-9,12,16H,10-11H2,(H,22,23)
InChIKeyFEWDYGAYHLJLEK-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid

1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid (PubChem CID 59324919) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid
PubChem CID59324919
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid
SMILESO=C(O)c1ncn(C2CCc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-19(23)17-18(14-7-2-1-3-8-14)21(12-20-17)16-11-10-13-6-4-5-9-15(13)16/h1-9,12,16H,10-11H2,(H,22,23)
InChIKeyFEWDYGAYHLJLEK-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid (CID 59324919) is 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid is O=C(O)c1ncn(C2CCc3ccccc32)c1-c1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid?
The InChIKey is FEWDYGAYHLJLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19(23)17-18(14-7-2-1-3-8-14)21(12-20-17)16-11-10-13-6-4-5-9-15(13)16/h1-9,12,16H,10-11H2,(H,22,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid?
1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid is sourced from PubChem (CID 59324919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).