5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide

C13H10BrN3O3 — CID 22434151

IUPAC5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
SMILESCc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10BrN3O3/c1-6-4-8-9(17-13(19)16-8)5-7(6)15-12(18)10-2-3-11(14)20-10/h2-5H,1H3,(H,15,18)(H2,16,17,19)
InChIKeyJFEPKRSRROHABX-UHFFFAOYSA-N
MW336.15 g/mol
LogP2.77
Rot. Bonds2

About 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide

5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide (PubChem CID 22434151) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
PubChem CID22434151
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
SMILESCc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10BrN3O3/c1-6-4-8-9(17-13(19)16-8)5-7(6)15-12(18)10-2-3-11(14)20-10/h2-5H,1H3,(H,15,18)(H2,16,17,19)
InChIKeyJFEPKRSRROHABX-UHFFFAOYSA-N
XLogP2.77
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide (CID 22434151) is 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide is Cc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is JFEPKRSRROHABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c1-6-4-8-9(17-13(19)16-8)5-7(6)15-12(18)10-2-3-11(14)20-10/h2-5H,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide?
5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 336.15 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 22434151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).