2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide

C8H14N4O — CID 62352168

IUPAC2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide
SMILESCc1ncn(C(C)/C(N)=N/O)c1C
InChIInChI=1S/C8H14N4O/c1-5-6(2)12(4-10-5)7(3)8(9)11-13/h4,7,13H,1-3H3,(H2,9,11)
InChIKeyBEAPPFDEVQXXOR-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.81
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide

2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide (PubChem CID 62352168) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide
PubChem CID62352168
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide
SMILESCc1ncn(C(C)/C(N)=N/O)c1C
InChIInChI=1S/C8H14N4O/c1-5-6(2)12(4-10-5)7(3)8(9)11-13/h4,7,13H,1-3H3,(H2,9,11)
InChIKeyBEAPPFDEVQXXOR-UHFFFAOYSA-N
XLogP0.81
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.81
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

(2S)-2-(4,5-dimethylimidazol-1-yl)propanoic acid
CID 82413382
methyl 2-(4,5-dimethylimidazol-1-yl)propanoate
CID 62350544
3-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76941353
2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide
CID 116621752
N'-hydroxy-2-(1,2,4-triazol-1-yl)propanimidamide
CID 76914958
1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one
CID 62349880
N-(5-amino-2-fluorophenyl)-2-(4,5-dimethylimidazol-1-yl)propanamide
CID 62349835
4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide
CID 76941348
3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol
CID 114357743
2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109567
2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87561124
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62441020

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide (CID 62352168) is 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide is Cc1ncn(C(C)/C(N)=N/O)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is BEAPPFDEVQXXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-6(2)12(4-10-5)7(3)8(9)11-13/h4,7,13H,1-3H3,(H2,9,11).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide?
2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 182.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 62352168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).