2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine

C18H16F2N6O — CID 156528935

IUPAC2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine
SMILESNC(N)=Nc1ccc(-c2ccc(-c3ccc(N=C(N)N)cc3F)o2)c(F)c1
InChIInChI=1S/C18H16F2N6O/c19-13-7-9(25-17(21)22)1-3-11(13)15-5-6-16(27-15)12-4-2-10(8-14(12)20)26-18(23)24/h1-8H,(H4,21,22,25)(H4,23,24,26)
InChIKeyHIIFHUPMMXYRPR-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.70
Rot. Bonds4

About 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine

2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine (PubChem CID 156528935) has the molecular formula C18H16F2N6O and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine.

Molecular Properties

Compound Name2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine
PubChem CID156528935
Molecular FormulaC18H16F2N6O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine
SMILESNC(N)=Nc1ccc(-c2ccc(-c3ccc(N=C(N)N)cc3F)o2)c(F)c1
InChIInChI=1S/C18H16F2N6O/c19-13-7-9(25-17(21)22)1-3-11(13)15-5-6-16(27-15)12-4-2-10(8-14(12)20)26-18(23)24/h1-8H,(H4,21,22,25)(H4,23,24,26)
InChIKeyHIIFHUPMMXYRPR-UHFFFAOYSA-N
XLogP2.70
TPSA141.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine?
The IUPAC name of 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine (CID 156528935) is 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine.
What is the SMILES notation for 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine?
The canonical SMILES for 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine is NC(N)=Nc1ccc(-c2ccc(-c3ccc(N=C(N)N)cc3F)o2)c(F)c1.
What is the InChIKey of 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine?
The InChIKey is HIIFHUPMMXYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O/c19-13-7-9(25-17(21)22)1-3-11(13)15-5-6-16(27-15)12-4-2-10(8-14(12)20)26-18(23)24/h1-8H,(H4,21,22,25)(H4,23,24,26).
What are the key properties of 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine?
2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine has a molecular weight of 370.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-(diaminomethylideneamino)-2-fluorophenyl]furan-2-yl]-3-fluorophenyl]guanidine is sourced from PubChem (CID 156528935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).