4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile

C21H14N2O4 — CID 1286677

IUPAC4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile
SMILESCc1ccc(O)c(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1
InChIInChI=1S/C21H14N2O4/c1-13-6-7-16(24)14(10-13)12-23-21-15(11-22)19(17-4-2-8-25-17)20(27-21)18-5-3-9-26-18/h2-10,12,24H,1H3
InChIKeyAHGUBYTXFZGAIO-UHFFFAOYSA-N
MW358.35 g/mol
LogP5.44
Rot. Bonds4

About 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile

4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile (PubChem CID 1286677) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile.

Molecular Properties

Compound Name4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile
PubChem CID1286677
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile
SMILESCc1ccc(O)c(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1
InChIInChI=1S/C21H14N2O4/c1-13-6-7-16(24)14(10-13)12-23-21-15(11-22)19(17-4-2-8-25-17)20(27-21)18-5-3-9-26-18/h2-10,12,24H,1H3
InChIKeyAHGUBYTXFZGAIO-UHFFFAOYSA-N
XLogP5.44
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.35
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile
CID 137094384
2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 137095660
2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2358220
4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile
CID 2356082
2-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126383787
2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2347116
ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
CID 126384129
4,5-bis(furan-2-yl)-2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]furan-3-carbonitrile
CID 10256973
2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126389331
2-[5-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]furan-2-yl]benzoic acid
CID 126385016
4,5-bis(furan-2-yl)-2-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]furan-3-carbonitrile
CID 126391055
4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile
CID 46738525

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile?
The IUPAC name of 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile (CID 1286677) is 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile.
What is the SMILES notation for 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile?
The canonical SMILES for 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile is Cc1ccc(O)c(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1.
What is the InChIKey of 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile?
The InChIKey is AHGUBYTXFZGAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c1-13-6-7-16(24)14(10-13)12-23-21-15(11-22)19(17-4-2-8-25-17)20(27-21)18-5-3-9-26-18/h2-10,12,24H,1H3.
What are the key properties of 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile?
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile has a molecular weight of 358.35 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile is sourced from PubChem (CID 1286677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).