3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide

C16H15N5O — CID 5144752

IUPAC3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
SMILESO=C(CCn1cnc2ccccc21)NN=Cc1ccccn1
InChIInChI=1S/C16H15N5O/c22-16(20-19-11-13-5-3-4-9-17-13)8-10-21-12-18-14-6-1-2-7-15(14)21/h1-7,9,11-12H,8,10H2,(H,20,22)
InChIKeyVIYJQZGSQPZJLL-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.97
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide

3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide (PubChem CID 5144752) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
PubChem CID5144752
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
SMILESO=C(CCn1cnc2ccccc21)NN=Cc1ccccn1
InChIInChI=1S/C16H15N5O/c22-16(20-19-11-13-5-3-4-9-17-13)8-10-21-12-18-14-6-1-2-7-15(14)21/h1-7,9,11-12H,8,10H2,(H,20,22)
InChIKeyVIYJQZGSQPZJLL-UHFFFAOYSA-N
XLogP1.97
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.97
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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Related Compounds

N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
2-(benzotriazol-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 6014121
3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 4681398
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
2-(benzimidazol-1-yl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6861925
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
2-(benzimidazol-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883
2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide (CID 5144752) is 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide is O=C(CCn1cnc2ccccc21)NN=Cc1ccccn1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide?
The InChIKey is VIYJQZGSQPZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16(20-19-11-13-5-3-4-9-17-13)8-10-21-12-18-14-6-1-2-7-15(14)21/h1-7,9,11-12H,8,10H2,(H,20,22).
What are the key properties of 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide?
3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide has a molecular weight of 293.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(pyridin-2-ylmethylideneamino)propanamide is sourced from PubChem (CID 5144752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).