2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide

C14H11BrN4O — CID 114883369

IUPAC2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1-n1cnc2ccccc21
InChIInChI=1S/C14H11BrN4O/c15-9-4-3-7-12(13(9)14(16)18-20)19-8-17-10-5-1-2-6-11(10)19/h1-8,20H,(H2,16,18)
InChIKeyWYVFLASDYGUJHC-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.88
Rot. Bonds2

About 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide

2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide (PubChem CID 114883369) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
PubChem CID114883369
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1-n1cnc2ccccc21
InChIInChI=1S/C14H11BrN4O/c15-9-4-3-7-12(13(9)14(16)18-20)19-8-17-10-5-1-2-6-11(10)19/h1-8,20H,(H2,16,18)
InChIKeyWYVFLASDYGUJHC-UHFFFAOYSA-N
XLogP2.88
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide (CID 114883369) is 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Br)cccc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide?
The InChIKey is WYVFLASDYGUJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c15-9-4-3-7-12(13(9)14(16)18-20)19-8-17-10-5-1-2-6-11(10)19/h1-8,20H,(H2,16,18).
What are the key properties of 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide?
2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide has a molecular weight of 331.17 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).