1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine

C15H15N5 — CID 10220948

IUPAC1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1C)c1ccccn1
InChIInChI=1S/C15H15N5/c1-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20(15)2/h3-10H,1-2H3,(H,17,19)/b18-11+
InChIKeyJNNXERNBPXXNLK-WOJGMQOQSA-N
MW265.32 g/mol
LogP2.80
Rot. Bonds3

About 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine

1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine (PubChem CID 10220948) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
PubChem CID10220948
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1C)c1ccccn1
InChIInChI=1S/C15H15N5/c1-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20(15)2/h3-10H,1-2H3,(H,17,19)/b18-11+
InChIKeyJNNXERNBPXXNLK-WOJGMQOQSA-N
XLogP2.80
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine (CID 10220948) is 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine is C/C(=N\Nc1nc2ccccc2n1C)c1ccccn1.
What is the InChIKey of 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
The InChIKey is JNNXERNBPXXNLK-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H15N5/c1-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20(15)2/h3-10H,1-2H3,(H,17,19)/b18-11+.
What are the key properties of 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine?
1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 10220948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).