1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide

C13H10BrN3O2 — CID 22903616

IUPAC1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1C1Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C13H10BrN3O2/c14-8-1-2-9-7(5-8)6-10(11(9)18)17-4-3-16-13(17)12(15)19/h1-5,10H,6H2,(H2,15,19)
InChIKeyJIPILLKGMGVRKT-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.72
Rot. Bonds2

About 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide

1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide (PubChem CID 22903616) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide
PubChem CID22903616
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1C1Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C13H10BrN3O2/c14-8-1-2-9-7(5-8)6-10(11(9)18)17-4-3-16-13(17)12(15)19/h1-5,10H,6H2,(H2,15,19)
InChIKeyJIPILLKGMGVRKT-UHFFFAOYSA-N
XLogP1.72
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide?
The IUPAC name of 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide (CID 22903616) is 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide.
What is the SMILES notation for 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide?
The canonical SMILES for 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide is NC(=O)c1nccn1C1Cc2cc(Br)ccc2C1=O.
What is the InChIKey of 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide?
The InChIKey is JIPILLKGMGVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-8-1-2-9-7(5-8)6-10(11(9)18)17-4-3-16-13(17)12(15)19/h1-5,10H,6H2,(H2,15,19).
What are the key properties of 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide?
1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide is sourced from PubChem (CID 22903616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).