N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide

C10H11N5O3 — CID 91622335

IUPACN'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide
SMILESN/C(CCn1cnc2ccc([N+](=O)[O-])cc21)=N/O
InChIInChI=1S/C10H11N5O3/c11-10(13-16)3-4-14-6-12-8-2-1-7(15(17)18)5-9(8)14/h1-2,5-6,16H,3-4H2,(H2,11,13)
InChIKeyFSMVTWBFSJAXDE-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.08
Rot. Bonds4

About N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide

N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide (PubChem CID 91622335) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide
PubChem CID91622335
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC NameN'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide
SMILESN/C(CCn1cnc2ccc([N+](=O)[O-])cc21)=N/O
InChIInChI=1S/C10H11N5O3/c11-10(13-16)3-4-14-6-12-8-2-1-7(15(17)18)5-9(8)14/h1-2,5-6,16H,3-4H2,(H2,11,13)
InChIKeyFSMVTWBFSJAXDE-UHFFFAOYSA-N
XLogP1.08
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-nitrobenzimidazol-1-yl)ethylcarbamoyl]propanamide
CID 3050480
1-hydroxy-6-nitrobenzimidazole;hydrochloride
CID 14062559
4-[2-(6-nitrobenzimidazol-1-yl)ethyl]morpholin-4-ium chloride
CID 139067332
4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine
CID 3025471
6-nitro-3-(3-oxobutyl)quinazolin-4-one
CID 7568902
N-[(6-nitrobenzimidazol-1-yl)methyl]-N-octyloctan-1-amine
CID 134294693
(6-nitrobenzimidazol-1-yl) thiohypofluorite
CID 170769369
2-(benzimidazol-1-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135718335
N'-hydroxy-5-(2-methyl-5-nitrophenoxy)pentanimidamide
CID 109374777
methyl 3-methoxy-4-[(6-nitrobenzimidazol-1-yl)methyl]benzoate
CID 14763096
N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
CID 55036254
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide (CID 91622335) is N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide is N/C(CCn1cnc2ccc([N+](=O)[O-])cc21)=N/O.
What is the InChIKey of N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide?
The InChIKey is FSMVTWBFSJAXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c11-10(13-16)3-4-14-6-12-8-2-1-7(15(17)18)5-9(8)14/h1-2,5-6,16H,3-4H2,(H2,11,13).
What are the key properties of N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide?
N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide has a molecular weight of 249.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide is sourced from PubChem (CID 91622335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).