4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide

C9H16N4O — CID 76941348

IUPAC4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide
SMILESCc1ncn(CCCC(N)=NO)c1C
InChIInChI=1S/C9H16N4O/c1-7-8(2)13(6-11-7)5-3-4-9(10)12-14/h6,14H,3-5H2,1-2H3,(H2,10,12)
InChIKeyUVNCXAKTSDZXNP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.03
Rot. Bonds4

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

4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide (PubChem CID 76941348) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide
PubChem CID76941348
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide
SMILESCc1ncn(CCCC(N)=NO)c1C
InChIInChI=1S/C9H16N4O/c1-7-8(2)13(6-11-7)5-3-4-9(10)12-14/h6,14H,3-5H2,1-2H3,(H2,10,12)
InChIKeyUVNCXAKTSDZXNP-UHFFFAOYSA-N
XLogP1.03
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide (CID 76941348) is 4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide is Cc1ncn(CCCC(N)=NO)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is UVNCXAKTSDZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-8(2)13(6-11-7)5-3-4-9(10)12-14/h6,14H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide?
4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide has a molecular weight of 196.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76941348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).