N'-hydroxy-2-imidazol-1-ylethanimidamide

C5H8N4O — CID 24705664

IUPACN'-hydroxy-2-imidazol-1-ylethanimidamide
SMILESN/C(Cn1ccnc1)=N\O
InChIInChI=1S/C5H8N4O/c6-5(8-10)3-9-2-1-7-4-9/h1-2,4,10H,3H2,(H2,6,8)
InChIKeyYONIEQVGHSDLRO-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.37
Rot. Bonds2

About N'-hydroxy-2-imidazol-1-ylethanimidamide

N'-hydroxy-2-imidazol-1-ylethanimidamide (PubChem CID 24705664) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N'-hydroxy-2-imidazol-1-ylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-imidazol-1-ylethanimidamide
PubChem CID24705664
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN'-hydroxy-2-imidazol-1-ylethanimidamide
SMILESN/C(Cn1ccnc1)=N\O
InChIInChI=1S/C5H8N4O/c6-5(8-10)3-9-2-1-7-4-9/h1-2,4,10H,3H2,(H2,6,8)
InChIKeyYONIEQVGHSDLRO-UHFFFAOYSA-N
XLogP-0.37
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.37
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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Related Compounds

N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030707
(NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 20528220
N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide
CID 77032766
N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
CID 76917250
potassium trifluoro(3-imidazol-1-ylprop-1-en-2-yl)boranuide
CID 106746319
N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 152780262
1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
CID 13269102
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
3-imidazol-1-ylpropanamide;hydrate
CID 70092717
2-imidazol-1-ylethanol
CID 159023310
N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030553
4-imidazol-1-ylbutanethioamide
CID 19417737

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-imidazol-1-ylethanimidamide?
The IUPAC name of N'-hydroxy-2-imidazol-1-ylethanimidamide (CID 24705664) is N'-hydroxy-2-imidazol-1-ylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-imidazol-1-ylethanimidamide?
The canonical SMILES for N'-hydroxy-2-imidazol-1-ylethanimidamide is N/C(Cn1ccnc1)=N\O.
What is the InChIKey of N'-hydroxy-2-imidazol-1-ylethanimidamide?
The InChIKey is YONIEQVGHSDLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-5(8-10)3-9-2-1-7-4-9/h1-2,4,10H,3H2,(H2,6,8).
What are the key properties of N'-hydroxy-2-imidazol-1-ylethanimidamide?
N'-hydroxy-2-imidazol-1-ylethanimidamide has a molecular weight of 140.15 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-imidazol-1-ylethanimidamide is sourced from PubChem (CID 24705664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).