2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide

C16H14N4O — CID 6898746

IUPAC2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide
SMILESO=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1
InChIInChI=1S/C16H14N4O/c21-16(19-18-10-13-6-2-1-3-7-13)11-20-12-17-14-8-4-5-9-15(14)20/h1-10,12H,11H2,(H,19,21)/b18-10+
InChIKeyNRYIBPRQDNMYEY-VCHYOVAHSA-N
MW278.31 g/mol
LogP2.19
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide (PubChem CID 6898746) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide
PubChem CID6898746
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide
SMILESO=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1
InChIInChI=1S/C16H14N4O/c21-16(19-18-10-13-6-2-1-3-7-13)11-20-12-17-14-8-4-5-9-15(14)20/h1-10,12H,11H2,(H,19,21)/b18-10+
InChIKeyNRYIBPRQDNMYEY-VCHYOVAHSA-N
XLogP2.19
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.19
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 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide (CID 6898746) is 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide is O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide?
The InChIKey is NRYIBPRQDNMYEY-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(19-18-10-13-6-2-1-3-7-13)11-20-12-17-14-8-4-5-9-15(14)20/h1-10,12H,11H2,(H,19,21)/b18-10+.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide has a molecular weight of 278.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(E)-benzylideneamino]acetamide is sourced from PubChem (CID 6898746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).