1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine

C17H16N4O — CID 90229391

IUPAC1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine
SMILESN/C(=N\Cc1ccccc1)N/N=C/c1cc2ccccc2o1
InChIInChI=1S/C17H16N4O/c18-17(19-11-13-6-2-1-3-7-13)21-20-12-15-10-14-8-4-5-9-16(14)22-15/h1-10,12H,11H2,(H3,18,19,21)/b20-12+
InChIKeyBUHIWIPIXBWCOP-UDWIEESQSA-N
MW292.34 g/mol
LogP2.87
Rot. Bonds4

About 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine

1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine (PubChem CID 90229391) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine.

Molecular Properties

Compound Name1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine
PubChem CID90229391
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine
SMILESN/C(=N\Cc1ccccc1)N/N=C/c1cc2ccccc2o1
InChIInChI=1S/C17H16N4O/c18-17(19-11-13-6-2-1-3-7-13)21-20-12-15-10-14-8-4-5-9-16(14)22-15/h1-10,12H,11H2,(H3,18,19,21)/b20-12+
InChIKeyBUHIWIPIXBWCOP-UDWIEESQSA-N
XLogP2.87
TPSA75.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
CID 9836739
N-isopropyl-2-[4-(N-isopropylcarbamimidoyl)phenyl]benzofuran-6-carboxamidine
CID 11257000
N-isopropyl-2-[3-(N-isopropylcarbamimidoyl)phenyl]benzofuran-5-carboxamidine
CID 11268462
N-isopropyl-2-[4-(N-isopropylcarbamimidoyl)phenyl]benzofuran-5-carboxamidine
CID 11739966
Pnu-74654
CID 60119583
5-(1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135467907
5-(Benzofuran-2-yl)-N-benzyl-6H-1,3,4-thiadiazin-2-amine
CID 135512247
methyl 4-[[[amino-[(2E)-2-(1-benzofuran-2-ylmethylidene)hydrazinyl]methylidene]amino]methyl]benzoate
CID 90229466
2-methyl-1-[(Z)-1-[8-[(E)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzofuran-2-yl]ethylideneamino]guanidine
CID 92529079
Hydrazinecarboximidamide, 2,2'-(2,8-dibenzofurandiyldiethylidyne)bis[N-methyl-
CID 9573781
N-allyl-4-[5-[4-(N-allylcarbamimidoyl)phenyl]-2-furyl]benzamidine
CID 460066
Hydrazinecarboimidamide,2'-(2,8-dibenzofurandiyldiethylidyne)bis(N-methyl-, dihydrochloride
CID 54601621

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine?
The IUPAC name of 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine (CID 90229391) is 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine.
What is the SMILES notation for 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine?
The canonical SMILES for 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine is N/C(=N\Cc1ccccc1)N/N=C/c1cc2ccccc2o1.
What is the InChIKey of 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine?
The InChIKey is BUHIWIPIXBWCOP-UDWIEESQSA-N. The full InChI is InChI=1S/C17H16N4O/c18-17(19-11-13-6-2-1-3-7-13)21-20-12-15-10-14-8-4-5-9-16(14)22-15/h1-10,12H,11H2,(H3,18,19,21)/b20-12+.
What are the key properties of 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine?
1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine has a molecular weight of 292.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine is sourced from PubChem (CID 90229391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).