N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide

C12H8BrN3O2 — CID 786574

IUPACN-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(Br)o1
InChIInChI=1S/C12H8BrN3O2/c13-10-6-5-9(18-10)11(17)16-12-14-7-3-1-2-4-8(7)15-12/h1-6H,(H2,14,15,16,17)
InChIKeyQNVURQADUUTPFY-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.17
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide

N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide (PubChem CID 786574) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide
PubChem CID786574
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC NameN-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc(Br)o1
InChIInChI=1S/C12H8BrN3O2/c13-10-6-5-9(18-10)11(17)16-12-14-7-3-1-2-4-8(7)15-12/h1-6H,(H2,14,15,16,17)
InChIKeyQNVURQADUUTPFY-UHFFFAOYSA-N
XLogP3.17
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide (CID 786574) is N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc(Br)o1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide?
The InChIKey is QNVURQADUUTPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c13-10-6-5-9(18-10)11(17)16-12-14-7-3-1-2-4-8(7)15-12/h1-6H,(H2,14,15,16,17).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide?
N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide has a molecular weight of 306.12 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 786574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).