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

C14H9Br2N3O2 — CID 130275021

IUPAC5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide
SMILESO=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(Br)ccc1O
InChIInChI=1S/C14H9Br2N3O2/c15-7-2-4-12(20)9(5-7)13(21)19-14-17-10-3-1-8(16)6-11(10)18-14/h1-6,20H,(H2,17,18,19,21)
InChIKeyIABZCTFGUMVLJC-UHFFFAOYSA-N
MW411.05 g/mol
LogP4.05
Rot. Bonds2

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

5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide (PubChem CID 130275021) has the molecular formula C14H9Br2N3O2 and a molecular weight of 411.05 g/mol. Its IUPAC name is 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide
PubChem CID130275021
Molecular FormulaC14H9Br2N3O2
Molecular Weight411.05 g/mol
Exact Mass408.91
IUPAC Name5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide
SMILESO=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(Br)ccc1O
InChIInChI=1S/C14H9Br2N3O2/c15-7-2-4-12(20)9(5-7)13(21)19-14-17-10-3-1-8(16)6-11(10)18-14/h1-6,20H,(H2,17,18,19,21)
InChIKeyIABZCTFGUMVLJC-UHFFFAOYSA-N
XLogP4.05
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.05
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide (CID 130275021) is 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide is O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide?
The InChIKey is IABZCTFGUMVLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O2/c15-7-2-4-12(20)9(5-7)13(21)19-14-17-10-3-1-8(16)6-11(10)18-14/h1-6,20H,(H2,17,18,19,21).
What are the key properties of 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide?
5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide has a molecular weight of 411.05 g/mol, XLogP of 4.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 130275021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).