5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide

C12H16N4O2 — CID 63579908

IUPAC5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NN)co1
InChIInChI=1S/C12H16N4O2/c1-8(2)11-14-3-4-16(11)6-10-5-9(7-18-10)12(17)15-13/h3-5,7-8H,6,13H2,1-2H3,(H,15,17)
InChIKeyPDSPUANVVHMNJW-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.25
Rot. Bonds4

About 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide

5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63579908) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63579908
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NN)co1
InChIInChI=1S/C12H16N4O2/c1-8(2)11-14-3-4-16(11)6-10-5-9(7-18-10)12(17)15-13/h3-5,7-8H,6,13H2,1-2H3,(H,15,17)
InChIKeyPDSPUANVVHMNJW-UHFFFAOYSA-N
XLogP1.25
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55212892
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577211
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397268
3-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43620966
5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812365
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 43538211
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
CID 116804146
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569061
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579621
2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid
CID 43477624
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 103540560

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide (CID 63579908) is 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide is CC(C)c1nccn1Cc1cc(C(=O)NN)co1.
What is the InChIKey of 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is PDSPUANVVHMNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(2)11-14-3-4-16(11)6-10-5-9(7-18-10)12(17)15-13/h3-5,7-8H,6,13H2,1-2H3,(H,15,17).
What are the key properties of 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide?
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 248.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63579908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).