[1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine

C13H14N4O — CID 107979425

IUPAC[1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cnc(C(NN)c2cc3ccccc3o2)c1
InChIInChI=1S/C13H14N4O/c1-17-7-10(15-8-17)13(16-14)12-6-9-4-2-3-5-11(9)18-12/h2-8,13,16H,14H2,1H3
InChIKeySHXOUBVEVKUZOI-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.72
Rot. Bonds3

About [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine

[1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine (PubChem CID 107979425) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine
PubChem CID107979425
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name[1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cnc(C(NN)c2cc3ccccc3o2)c1
InChIInChI=1S/C13H14N4O/c1-17-7-10(15-8-17)13(16-14)12-6-9-4-2-3-5-11(9)18-12/h2-8,13,16H,14H2,1H3
InChIKeySHXOUBVEVKUZOI-UHFFFAOYSA-N
XLogP1.72
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(7-methyl-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methyl]hydrazine
CID 114023468
[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105218384
[1-benzofuran-2-yl-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 105337763
[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105218310
[1-benzofuran-2-yl(1-benzothiophen-2-yl)methyl]hydrazine
CID 105337766
[1-benzofuran-2-yl-(2,3-dimethylphenyl)methyl]hydrazine
CID 105218327
[1-benzofuran-2-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105218365
[(5-methyl-1-benzofuran-2-yl)-pyridin-2-ylmethyl]hydrazine
CID 105195743
[1-benzothiophen-7-yl-(1-methylimidazol-4-yl)methyl]hydrazine
CID 107979326
[(1-methylimidazol-4-yl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 107979173
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107977704
[1-(1-benzofuran-2-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245571

Frequently Asked Questions

What is the IUPAC name of [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine?
The IUPAC name of [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine (CID 107979425) is [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine?
The canonical SMILES for [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine is Cn1cnc(C(NN)c2cc3ccccc3o2)c1.
What is the InChIKey of [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine?
The InChIKey is SHXOUBVEVKUZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17-7-10(15-8-17)13(16-14)12-6-9-4-2-3-5-11(9)18-12/h2-8,13,16H,14H2,1H3.
What are the key properties of [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine?
[1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine has a molecular weight of 242.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzofuran-2-yl-(1-methylimidazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 107979425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).