3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide

C14H14N4O2 — CID 63573735

IUPAC3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESCc1nccn1Cc1c(C(=O)NN)oc2ccccc12
InChIInChI=1S/C14H14N4O2/c1-9-16-6-7-18(9)8-11-10-4-2-3-5-12(10)20-13(11)14(19)17-15/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyBIPCKPQGLHPIJD-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.59
Rot. Bonds3

About 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide

3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide (PubChem CID 63573735) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
PubChem CID63573735
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESCc1nccn1Cc1c(C(=O)NN)oc2ccccc12
InChIInChI=1S/C14H14N4O2/c1-9-16-6-7-18(9)8-11-10-4-2-3-5-12(10)20-13(11)14(19)17-15/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyBIPCKPQGLHPIJD-UHFFFAOYSA-N
XLogP1.59
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.59
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

3-[(4-methylpyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578332
N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 55072986
3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63579425
N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62446848
3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 103540514
3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63581675
3-[(2-oxopyrimidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 28943249
3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578144
3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide
CID 116793809
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
3-(1H-imidazol-2-ylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 107782845
3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63574192

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide (CID 63573735) is 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide is Cc1nccn1Cc1c(C(=O)NN)oc2ccccc12.
What is the InChIKey of 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is BIPCKPQGLHPIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-16-6-7-18(9)8-11-10-4-2-3-5-12(10)20-13(11)14(19)17-15/h2-7H,8,15H2,1H3,(H,17,19).
What are the key properties of 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 270.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 63573735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).