N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide

C16H10BrN3O2 — CID 43077303

IUPACN-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H10BrN3O2/c17-10-5-3-4-9-8-13(22-14(9)10)15(21)20-16-18-11-6-1-2-7-12(11)19-16/h1-8H,(H2,18,19,20,21)
InChIKeyGMQZCPVKIXBPAZ-UHFFFAOYSA-N
MW356.18 g/mol
LogP4.32
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide

N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide (PubChem CID 43077303) has the molecular formula C16H10BrN3O2 and a molecular weight of 356.18 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide
PubChem CID43077303
Molecular FormulaC16H10BrN3O2
Molecular Weight356.18 g/mol
Exact Mass355.00
IUPAC NameN-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H10BrN3O2/c17-10-5-3-4-9-8-13(22-14(9)10)15(21)20-16-18-11-6-1-2-7-12(11)19-16/h1-8H,(H2,18,19,20,21)
InChIKeyGMQZCPVKIXBPAZ-UHFFFAOYSA-N
XLogP4.32
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
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CID 38885789
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide (CID 43077303) is N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1cc2cccc(Br)c2o1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide?
The InChIKey is GMQZCPVKIXBPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2/c17-10-5-3-4-9-8-13(22-14(9)10)15(21)20-16-18-11-6-1-2-7-12(11)19-16/h1-8H,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide?
N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide has a molecular weight of 356.18 g/mol, XLogP of 4.32, 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)-7-bromo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43077303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).