methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine

C23H24N6O2 — CID 156797933

IUPACmethanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine
SMILESCNc1ccc(-c2ccc(-c3ccc(-c4ccc(N=C(N)N)cc4)o3)o2)cc1.[H]/N=C/N
InChIInChI=1S/C22H20N4O2.CH4N2/c1-25-16-6-2-14(3-7-16)18-10-12-20(27-18)21-13-11-19(28-21)15-4-8-17(9-5-15)26-22(23)24;2-1-3/h2-13,25H,1H3,(H4,23,24,26);1H,(H3,2,3)
InChIKeyQFNJSPAXOQGQTG-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.37
Rot. Bonds5

About methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine

methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine (PubChem CID 156797933) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine.

Molecular Properties

Compound Namemethanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine
PubChem CID156797933
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Namemethanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine
SMILESCNc1ccc(-c2ccc(-c3ccc(-c4ccc(N=C(N)N)cc4)o3)o2)cc1.[H]/N=C/N
InChIInChI=1S/C22H20N4O2.CH4N2/c1-25-16-6-2-14(3-7-16)18-10-12-20(27-18)21-13-11-19(28-21)15-4-8-17(9-5-15)26-22(23)24;2-1-3/h2-13,25H,1H3,(H4,23,24,26);1H,(H3,2,3)
InChIKeyQFNJSPAXOQGQTG-UHFFFAOYSA-N
XLogP4.37
TPSA152.58 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine?
The IUPAC name of methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine (CID 156797933) is methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine.
What is the SMILES notation for methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine?
The canonical SMILES for methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine is CNc1ccc(-c2ccc(-c3ccc(-c4ccc(N=C(N)N)cc4)o3)o2)cc1.[H]/N=C/N.
What is the InChIKey of methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine?
The InChIKey is QFNJSPAXOQGQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2.CH4N2/c1-25-16-6-2-14(3-7-16)18-10-12-20(27-18)21-13-11-19(28-21)15-4-8-17(9-5-15)26-22(23)24;2-1-3/h2-13,25H,1H3,(H4,23,24,26);1H,(H3,2,3).
What are the key properties of methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine?
methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine has a molecular weight of 416.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine is sourced from PubChem (CID 156797933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).