2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide

C14H11ClN4O — CID 76984718

IUPAC2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H11ClN4O/c15-9-5-6-10(14(16)18-20)13(7-9)19-8-17-11-3-1-2-4-12(11)19/h1-8,20H,(H2,16,18)
InChIKeyVOZPLVFGZMNOFS-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.77
Rot. Bonds2

About 2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide

2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 76984718) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID76984718
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H11ClN4O/c15-9-5-6-10(14(16)18-20)13(7-9)19-8-17-11-3-1-2-4-12(11)19/h1-8,20H,(H2,16,18)
InChIKeyVOZPLVFGZMNOFS-UHFFFAOYSA-N
XLogP2.77
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.77
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)-4-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide (CID 76984718) is 2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Cl)cc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is VOZPLVFGZMNOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-9-5-6-10(14(16)18-20)13(7-9)19-8-17-11-3-1-2-4-12(11)19/h1-8,20H,(H2,16,18).
What are the key properties of 2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide?
2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 286.72 g/mol, XLogP of 2.77, 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)-4-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76984718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).