N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide

C23H20Br2N6O2 — CID 135509604

IUPACN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12)N/N=C\c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H20Br2N6O2/c24-16-4-6-20-18(8-16)14(10-26-20)12-28-30-22(32)2-1-3-23(33)31-29-13-15-11-27-21-7-5-17(25)9-19(15)21/h4-13,26-27H,1-3H2,(H,30,32)(H,31,33)/b28-12-,29-13+
InChIKeyWUCYCJJKIXYIAH-HVICSYRFSA-N
MW572.26 g/mol
LogP4.94
Rot. Bonds8

About N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide

N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide (PubChem CID 135509604) has the molecular formula C23H20Br2N6O2 and a molecular weight of 572.26 g/mol. Its IUPAC name is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
PubChem CID135509604
Molecular FormulaC23H20Br2N6O2
Molecular Weight572.26 g/mol
Exact Mass570.00
IUPAC NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12)N/N=C\c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H20Br2N6O2/c24-16-4-6-20-18(8-16)14(10-26-20)12-28-30-22(32)2-1-3-23(33)31-29-13-15-11-27-21-7-5-17(25)9-19(15)21/h4-13,26-27H,1-3H2,(H,30,32)(H,31,33)/b28-12-,29-13+
InChIKeyWUCYCJJKIXYIAH-HVICSYRFSA-N
XLogP4.94
TPSA114.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.26
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide?
The IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide (CID 135509604) is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide.
What is the SMILES notation for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide?
The canonical SMILES for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide is O=C(CCCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12)N/N=C\c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide?
The InChIKey is WUCYCJJKIXYIAH-HVICSYRFSA-N. The full InChI is InChI=1S/C23H20Br2N6O2/c24-16-4-6-20-18(8-16)14(10-26-20)12-28-30-22(32)2-1-3-23(33)31-29-13-15-11-27-21-7-5-17(25)9-19(15)21/h4-13,26-27H,1-3H2,(H,30,32)(H,31,33)/b28-12-,29-13+.
What are the key properties of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide?
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide has a molecular weight of 572.26 g/mol, XLogP of 4.94, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide is sourced from PubChem (CID 135509604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).