methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate

C20H16N4O3 — CID 40533746

IUPACmethyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C20H16N4O3/c1-26-19(25)14-8-6-13(7-9-14)18-11-10-15(27-18)12-21-24-20-22-16-4-2-3-5-17(16)23-20/h2-12H,1H3,(H2,22,23,24)/b21-12-
InChIKeyGDWFKARUYAZNQV-MTJSOVHGSA-N
MW360.37 g/mol
LogP4.06
Rot. Bonds5

About methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate

methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate (PubChem CID 40533746) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate
PubChem CID40533746
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Namemethyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C20H16N4O3/c1-26-19(25)14-8-6-13(7-9-14)18-11-10-15(27-18)12-21-24-20-22-16-4-2-3-5-17(16)23-20/h2-12H,1H3,(H2,22,23,24)/b21-12-
InChIKeyGDWFKARUYAZNQV-MTJSOVHGSA-N
XLogP4.06
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate with MolForge

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Related Compounds

2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile
CID 126042512
N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 4271581
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870
methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 5457786
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
methyl 4-[5-(1,2,4-triazol-4-yliminomethyl)furan-2-yl]benzoate
CID 3784898
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
methyl 4-[5-[(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]furan-2-yl]benzoate
CID 6046239
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 4675457
methyl 4-[5-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126237213
ethyl 4-[5-[(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 840770
ethyl 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoate
CID 5343083

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate (CID 40533746) is methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate is COC(=O)c1ccc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)cc1.
What is the InChIKey of methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate?
The InChIKey is GDWFKARUYAZNQV-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-26-19(25)14-8-6-13(7-9-14)18-11-10-15(27-18)12-21-24-20-22-16-4-2-3-5-17(16)23-20/h2-12H,1H3,(H2,22,23,24)/b21-12-.
What are the key properties of methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate?
methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate has a molecular weight of 360.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 40533746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).