N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide

C16H10BrN3O3 — CID 665084

IUPACN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccco1
InChIInChI=1S/C16H10BrN3O3/c17-14-6-5-12(23-14)15-19-10-4-3-9(8-11(10)20-15)18-16(21)13-2-1-7-22-13/h1-8H,(H,18,21)(H,19,20)
InChIKeyRXEYLSNMLBMAMY-UHFFFAOYSA-N
MW372.18 g/mol
LogP4.43
Rot. Bonds3

About N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide

N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide (PubChem CID 665084) has the molecular formula C16H10BrN3O3 and a molecular weight of 372.18 g/mol. Its IUPAC name is N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
PubChem CID665084
Molecular FormulaC16H10BrN3O3
Molecular Weight372.18 g/mol
Exact Mass370.99
IUPAC NameN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccco1
InChIInChI=1S/C16H10BrN3O3/c17-14-6-5-12(23-14)15-19-10-4-3-9(8-11(10)20-15)18-16(21)13-2-1-7-22-13/h1-8H,(H,18,21)(H,19,20)
InChIKeyRXEYLSNMLBMAMY-UHFFFAOYSA-N
XLogP4.43
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide (CID 665084) is N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccco1.
What is the InChIKey of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is RXEYLSNMLBMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O3/c17-14-6-5-12(23-14)15-19-10-4-3-9(8-11(10)20-15)18-16(21)13-2-1-7-22-13/h1-8H,(H,18,21)(H,19,20).
What are the key properties of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 372.18 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 665084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).