1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine

C16H16N4 — CID 23266662

IUPAC1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine
SMILESC/C=N/Nc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N4/c1-2-17-19-16-18-14-10-6-7-11-15(14)20(16)12-13-8-4-3-5-9-13/h2-11H,12H2,1H3,(H,18,19)/b17-2+
InChIKeyVQPIUKXHCYBJRZ-LAZPYJJCSA-N
MW264.33 g/mol
LogP3.50
Rot. Bonds4

About 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine

1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine (PubChem CID 23266662) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine
PubChem CID23266662
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine
SMILESC/C=N/Nc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N4/c1-2-17-19-16-18-14-10-6-7-11-15(14)20(16)12-13-8-4-3-5-9-13/h2-11H,12H2,1H3,(H,18,19)/b17-2+
InChIKeyVQPIUKXHCYBJRZ-LAZPYJJCSA-N
XLogP3.50
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine?
The IUPAC name of 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine (CID 23266662) is 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine is C/C=N/Nc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine?
The InChIKey is VQPIUKXHCYBJRZ-LAZPYJJCSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-17-19-16-18-14-10-6-7-11-15(14)20(16)12-13-8-4-3-5-9-13/h2-11H,12H2,1H3,(H,18,19)/b17-2+.
What are the key properties of 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine?
1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 23266662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).