1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine

C20H24N6O — CID 122463266

IUPAC1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1CCN1CCOCC1)c1ccccn1
InChIInChI=1S/C20H24N6O/c1-16(17-6-4-5-9-21-17)23-24-20-22-18-7-2-3-8-19(18)26(20)11-10-25-12-14-27-15-13-25/h2-9H,10-15H2,1H3,(H,22,24)/b23-16+
InChIKeyVKBQOERLZLIPML-XQNSMLJCSA-N
MW364.45 g/mol
LogP2.60
Rot. Bonds6

About 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine

1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine (PubChem CID 122463266) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
PubChem CID122463266
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1CCN1CCOCC1)c1ccccn1
InChIInChI=1S/C20H24N6O/c1-16(17-6-4-5-9-21-17)23-24-20-22-18-7-2-3-8-19(18)26(20)11-10-25-12-14-27-15-13-25/h2-9H,10-15H2,1H3,(H,22,24)/b23-16+
InChIKeyVKBQOERLZLIPML-XQNSMLJCSA-N
XLogP2.60
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine (CID 122463266) is 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine is C/C(=N\Nc1nc2ccccc2n1CCN1CCOCC1)c1ccccn1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
The InChIKey is VKBQOERLZLIPML-XQNSMLJCSA-N. The full InChI is InChI=1S/C20H24N6O/c1-16(17-6-4-5-9-21-17)23-24-20-22-18-7-2-3-8-19(18)26(20)11-10-25-12-14-27-15-13-25/h2-9H,10-15H2,1H3,(H,22,24)/b23-16+.
What are the key properties of 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine has a molecular weight of 364.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 122463266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).