3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

C17H16N4O2 — CID 135517132

IUPAC3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1cnc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C17H16N4O2/c22-16-8-4-1-5-13(16)11-19-20-17(23)9-10-21-12-18-14-6-2-3-7-15(14)21/h1-8,11-12,22H,9-10H2,(H,20,23)/b19-11+
InChIKeyUMJWPFBRHSADFB-YBFXNURJSA-N
MW308.34 g/mol
LogP2.28
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 135517132) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
PubChem CID135517132
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1cnc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C17H16N4O2/c22-16-8-4-1-5-13(16)11-19-20-17(23)9-10-21-12-18-14-6-2-3-7-15(14)21/h1-8,11-12,22H,9-10H2,(H,20,23)/b19-11+
InChIKeyUMJWPFBRHSADFB-YBFXNURJSA-N
XLogP2.28
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (CID 135517132) is 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is O=C(CCn1cnc2ccccc21)N/N=C/c1ccccc1O.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is UMJWPFBRHSADFB-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16-8-4-1-5-13(16)11-19-20-17(23)9-10-21-12-18-14-6-2-3-7-15(14)21/h1-8,11-12,22H,9-10H2,(H,20,23)/b19-11+.
What are the key properties of 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 308.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135517132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).