N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide

C10H13N5O2 — CID 122687905

IUPACN'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide
SMILESNC(=NO)c1cccc2[nH]c(NCCO)nc12
InChIInChI=1S/C10H13N5O2/c11-9(15-17)6-2-1-3-7-8(6)14-10(13-7)12-4-5-16/h1-3,16-17H,4-5H2,(H2,11,15)(H2,12,13,14)
InChIKeyZIEPHVZUDIQOMR-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.06
Rot. Bonds4

About N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide

N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide (PubChem CID 122687905) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide
PubChem CID122687905
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide
SMILESNC(=NO)c1cccc2[nH]c(NCCO)nc12
InChIInChI=1S/C10H13N5O2/c11-9(15-17)6-2-1-3-7-8(6)14-10(13-7)12-4-5-16/h1-3,16-17H,4-5H2,(H2,11,15)(H2,12,13,14)
InChIKeyZIEPHVZUDIQOMR-UHFFFAOYSA-N
XLogP0.06
TPSA119.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide (CID 122687905) is N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide is NC(=NO)c1cccc2[nH]c(NCCO)nc12.
What is the InChIKey of N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide?
The InChIKey is ZIEPHVZUDIQOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-9(15-17)6-2-1-3-7-8(6)14-10(13-7)12-4-5-16/h1-3,16-17H,4-5H2,(H2,11,15)(H2,12,13,14).
What are the key properties of N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide?
N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide has a molecular weight of 235.25 g/mol, XLogP of 0.06, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-hydroxyethylamino)-1H-benzimidazole-4-carboximidamide is sourced from PubChem (CID 122687905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).