4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium

C23H29N4OY- — CID 158147655

IUPAC4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium
SMILESCC.[CH3-].[H]/N=C(\N)c1ccc(-c2oc(-c3ccc(/C(N)=N/[H])cc3)c(C)c2C)cc1.[Y]
InChIInChI=1S/C20H20N4O.C2H6.CH3.Y/c1-11-12(2)18(14-5-9-16(10-6-14)20(23)24)25-17(11)13-3-7-15(8-4-13)19(21)22;1-2;;/h3-10H,1-2H3,(H3,21,22)(H3,23,24);1-2H3;1H3;/q;;-1;
InChIKeySKIVJGAZOAAIOZ-UHFFFAOYSA-N
MW466.42 g/mol
LogP5.27
Rot. Bonds4

About 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium

4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium (PubChem CID 158147655) has the molecular formula C23H29N4OY- and a molecular weight of 466.42 g/mol. Its IUPAC name is 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium.

Molecular Properties

Compound Name4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium
PubChem CID158147655
Molecular FormulaC23H29N4OY-
Molecular Weight466.42 g/mol
Exact Mass466.14
IUPAC Name4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium
SMILESCC.[CH3-].[H]/N=C(\N)c1ccc(-c2oc(-c3ccc(/C(N)=N/[H])cc3)c(C)c2C)cc1.[Y]
InChIInChI=1S/C20H20N4O.C2H6.CH3.Y/c1-11-12(2)18(14-5-9-16(10-6-14)20(23)24)25-17(11)13-3-7-15(8-4-13)19(21)22;1-2;;/h3-10H,1-2H3,(H3,21,22)(H3,23,24);1-2H3;1H3;/q;;-1;
InChIKeySKIVJGAZOAAIOZ-UHFFFAOYSA-N
XLogP5.27
TPSA112.88 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.42
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-aminobenzenecarboximidamide;ethane
CID 142339418
2,5-bis(4-carbamimidoylphenyl)-3-N',4-N'-dimethoxyfuran-3,4-dicarboximidamide
CID 58767878
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
benzenecarboximidamide;toluene
CID 158219006
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
4-(1,2-oxazol-5-yl)benzenecarboximidamide
CID 142630673
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-methylphosphanylbenzenecarboximidamide
CID 156750976
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium?
The IUPAC name of 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium (CID 158147655) is 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium.
What is the SMILES notation for 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium?
The canonical SMILES for 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium is CC.[CH3-].[H]/N=C(\N)c1ccc(-c2oc(-c3ccc(/C(N)=N/[H])cc3)c(C)c2C)cc1.[Y].
What is the InChIKey of 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium?
The InChIKey is SKIVJGAZOAAIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.C2H6.CH3.Y/c1-11-12(2)18(14-5-9-16(10-6-14)20(23)24)25-17(11)13-3-7-15(8-4-13)19(21)22;1-2;;/h3-10H,1-2H3,(H3,21,22)(H3,23,24);1-2H3;1H3;/q;;-1;.
What are the key properties of 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium?
4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium has a molecular weight of 466.42 g/mol, XLogP of 5.27, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium is sourced from PubChem (CID 158147655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).