5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide

C17H15BrN4O2 — CID 73349842

IUPAC5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2n1C
InChIInChI=1S/C17H15BrN4O2/c1-10(16-19-13-5-3-4-6-14(13)22(16)2)20-21-17(24)12-9-11(18)7-8-15(12)23/h3-9,23H,1-2H3,(H,21,24)
InChIKeyWZPRXMVIAAVQOZ-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.20
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide

5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide (PubChem CID 73349842) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
PubChem CID73349842
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2n1C
InChIInChI=1S/C17H15BrN4O2/c1-10(16-19-13-5-3-4-6-14(13)22(16)2)20-21-17(24)12-9-11(18)7-8-15(12)23/h3-9,23H,1-2H3,(H,21,24)
InChIKeyWZPRXMVIAAVQOZ-UHFFFAOYSA-N
XLogP3.20
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide (CID 73349842) is 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide is CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2n1C.
What is the InChIKey of 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide?
The InChIKey is WZPRXMVIAAVQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-10(16-19-13-5-3-4-6-14(13)22(16)2)20-21-17(24)12-9-11(18)7-8-15(12)23/h3-9,23H,1-2H3,(H,21,24).
What are the key properties of 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide?
5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide has a molecular weight of 387.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 73349842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).