(E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine

C18H14N4 — CID 135400613

IUPAC(E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,19-20H/b21-11+,22-12+
InChIKeyOUAMYDYQMNKPLV-XHQRYOPUSA-N
MW286.34 g/mol
LogP4.10
Rot. Bonds3

About (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine

(E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine (PubChem CID 135400613) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine
PubChem CID135400613
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name(E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,19-20H/b21-11+,22-12+
InChIKeyOUAMYDYQMNKPLV-XHQRYOPUSA-N
XLogP4.10
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine (CID 135400613) is (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine is C(=N/N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine?
The InChIKey is OUAMYDYQMNKPLV-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,19-20H/b21-11+,22-12+.
What are the key properties of (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine?
(E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine has a molecular weight of 286.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine is sourced from PubChem (CID 135400613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).