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

C20H22N6O3 — CID 3007927

IUPAC2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine
SMILESCOc1cc(-c2ccc(-c3ccc(N=C(N)N)c(OC)c3)o2)ccc1N=C(N)N
InChIInChI=1S/C20H22N6O3/c1-27-17-9-11(3-5-13(17)25-19(21)22)15-7-8-16(29-15)12-4-6-14(26-20(23)24)18(10-12)28-2/h3-10H,1-2H3,(H4,21,22,25)(H4,23,24,26)
InChIKeyFJLOEWWZWCJKNF-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.44
Rot. Bonds6

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

2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine (PubChem CID 3007927) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine.

Molecular Properties

Compound Name2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine
PubChem CID3007927
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine
SMILESCOc1cc(-c2ccc(-c3ccc(N=C(N)N)c(OC)c3)o2)ccc1N=C(N)N
InChIInChI=1S/C20H22N6O3/c1-27-17-9-11(3-5-13(17)25-19(21)22)15-7-8-16(29-15)12-4-6-14(26-20(23)24)18(10-12)28-2/h3-10H,1-2H3,(H4,21,22,25)(H4,23,24,26)
InChIKeyFJLOEWWZWCJKNF-UHFFFAOYSA-N
XLogP2.44
TPSA160.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.44
H-Bond Donors ≤ 54
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 2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine?
The IUPAC name of 2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine (CID 3007927) is 2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine.
What is the SMILES notation for 2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine?
The canonical SMILES for 2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine is COc1cc(-c2ccc(-c3ccc(N=C(N)N)c(OC)c3)o2)ccc1N=C(N)N.
What is the InChIKey of 2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine?
The InChIKey is FJLOEWWZWCJKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-27-17-9-11(3-5-13(17)25-19(21)22)15-7-8-16(29-15)12-4-6-14(26-20(23)24)18(10-12)28-2/h3-10H,1-2H3,(H4,21,22,25)(H4,23,24,26).
What are the key properties of 2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine?
2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine has a molecular weight of 394.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-(diaminomethylideneamino)-3-methoxyphenyl]furan-2-yl]-2-methoxyphenyl]guanidine is sourced from PubChem (CID 3007927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).