1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine

C26H28N6 — CID 137238924

IUPAC1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine
SMILESC=Cc1[nH]c(/C=N/c2cc(N=C)c(N=C)cc2/N=C/c2[nH]c(C=C)c(C)c2C)c(C)c1C
InChIInChI=1S/C26H28N6/c1-9-19-15(3)17(5)25(31-19)13-29-23-11-21(27-7)22(28-8)12-24(23)30-14-26-18(6)16(4)20(10-2)32-26/h9-14,31-32H,1-2,7-8H2,3-6H3/b29-13+,30-14+
InChIKeyOFKDYIFWRAZZEG-HZUVFDMRSA-N
MW424.55 g/mol
LogP7.03
Rot. Bonds8

About 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine

1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine (PubChem CID 137238924) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine.

Molecular Properties

Compound Name1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine
PubChem CID137238924
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine
SMILESC=Cc1[nH]c(/C=N/c2cc(N=C)c(N=C)cc2/N=C/c2[nH]c(C=C)c(C)c2C)c(C)c1C
InChIInChI=1S/C26H28N6/c1-9-19-15(3)17(5)25(31-19)13-29-23-11-21(27-7)22(28-8)12-24(23)30-14-26-18(6)16(4)20(10-2)32-26/h9-14,31-32H,1-2,7-8H2,3-6H3/b29-13+,30-14+
InChIKeyOFKDYIFWRAZZEG-HZUVFDMRSA-N
XLogP7.03
TPSA81.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine?
The IUPAC name of 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine (CID 137238924) is 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine.
What is the SMILES notation for 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine?
The canonical SMILES for 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine is C=Cc1[nH]c(/C=N/c2cc(N=C)c(N=C)cc2/N=C/c2[nH]c(C=C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine?
The InChIKey is OFKDYIFWRAZZEG-HZUVFDMRSA-N. The full InChI is InChI=1S/C26H28N6/c1-9-19-15(3)17(5)25(31-19)13-29-23-11-21(27-7)22(28-8)12-24(23)30-14-26-18(6)16(4)20(10-2)32-26/h9-14,31-32H,1-2,7-8H2,3-6H3/b29-13+,30-14+.
What are the key properties of 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine?
1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine has a molecular weight of 424.55 g/mol, XLogP of 7.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)-N-[2-[(5-ethenyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]-4,5-bis(methylideneamino)phenyl]methanimine is sourced from PubChem (CID 137238924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).