N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide

C15H20N4O2 — CID 61299445

IUPACN'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide
SMILESCC(C)c1nccn1CCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H20N4O2/c1-11(2)15-17-7-8-19(15)9-10-21-13-5-3-12(4-6-13)14(16)18-20/h3-8,11,20H,9-10H2,1-2H3,(H2,16,18)
InChIKeyMSBYTMIBBUGUDF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.18
Rot. Bonds6

About N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide (PubChem CID 61299445) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide
PubChem CID61299445
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide
SMILESCC(C)c1nccn1CCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H20N4O2/c1-11(2)15-17-7-8-19(15)9-10-21-13-5-3-12(4-6-13)14(16)18-20/h3-8,11,20H,9-10H2,1-2H3,(H2,16,18)
InChIKeyMSBYTMIBBUGUDF-UHFFFAOYSA-N
XLogP2.18
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
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-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide (CID 61299445) is N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide is CC(C)c1nccn1CCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide?
The InChIKey is MSBYTMIBBUGUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)15-17-7-8-19(15)9-10-21-13-5-3-12(4-6-13)14(16)18-20/h3-8,11,20H,9-10H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide has a molecular weight of 288.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61299445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).