N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide

C16H11BrN4O — CID 37288160

IUPACN-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H11BrN4O/c17-11-6-5-10-7-14(19-13(10)8-11)16(22)20-21-9-18-12-3-1-2-4-15(12)21/h1-9,19H,(H,20,22)
InChIKeyXHKINAAMSDDYDJ-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.66
Rot. Bonds2

About N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide

N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide (PubChem CID 37288160) has the molecular formula C16H11BrN4O and a molecular weight of 355.20 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide
PubChem CID37288160
Molecular FormulaC16H11BrN4O
Molecular Weight355.20 g/mol
Exact Mass354.01
IUPAC NameN-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H11BrN4O/c17-11-6-5-10-7-14(19-13(10)8-11)16(22)20-21-9-18-12-3-1-2-4-15(12)21/h1-9,19H,(H,20,22)
InChIKeyXHKINAAMSDDYDJ-UHFFFAOYSA-N
XLogP3.66
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide (CID 37288160) is N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide is O=C(Nn1cnc2ccccc21)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide?
The InChIKey is XHKINAAMSDDYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O/c17-11-6-5-10-7-14(19-13(10)8-11)16(22)20-21-9-18-12-3-1-2-4-15(12)21/h1-9,19H,(H,20,22).
What are the key properties of N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide?
N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide has a molecular weight of 355.20 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide is sourced from PubChem (CID 37288160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).