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

C16H10Br2N4O — CID 118648668

IUPAC5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C16H10Br2N4O/c17-9-1-3-11-8(5-9)6-14(19-11)15(23)22-16-20-12-4-2-10(18)7-13(12)21-16/h1-7,19H,(H2,20,21,22,23)
InChIKeyLXYGNPTZHLJPKA-UHFFFAOYSA-N
MW434.09 g/mol
LogP4.82
Rot. Bonds2

About 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide

5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 118648668) has the molecular formula C16H10Br2N4O and a molecular weight of 434.09 g/mol. Its IUPAC name is 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide
PubChem CID118648668
Molecular FormulaC16H10Br2N4O
Molecular Weight434.09 g/mol
Exact Mass431.92
IUPAC Name5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C16H10Br2N4O/c17-9-1-3-11-8(5-9)6-14(19-11)15(23)22-16-20-12-4-2-10(18)7-13(12)21-16/h1-7,19H,(H2,20,21,22,23)
InChIKeyLXYGNPTZHLJPKA-UHFFFAOYSA-N
XLogP4.82
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.09
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide (CID 118648668) is 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide is O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is LXYGNPTZHLJPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N4O/c17-9-1-3-11-8(5-9)6-14(19-11)15(23)22-16-20-12-4-2-10(18)7-13(12)21-16/h1-7,19H,(H2,20,21,22,23).
What are the key properties of 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide?
5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 434.09 g/mol, XLogP of 4.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 118648668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).