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

C21H18N4O2 — CID 135717473

IUPAC3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESO=C(CCn1cnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C21H18N4O2/c26-20-10-9-15-5-1-2-6-16(15)17(20)13-23-24-21(27)11-12-25-14-22-18-7-3-4-8-19(18)25/h1-10,13-14,26H,11-12H2,(H,24,27)/b23-13+
InChIKeySQPJQVNNXUXWLU-YDZHTSKRSA-N
MW358.40 g/mol
LogP3.44
Rot. Bonds5

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

3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (PubChem CID 135717473) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
PubChem CID135717473
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESO=C(CCn1cnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C21H18N4O2/c26-20-10-9-15-5-1-2-6-16(15)17(20)13-23-24-21(27)11-12-25-14-22-18-7-3-4-8-19(18)25/h1-10,13-14,26H,11-12H2,(H,24,27)/b23-13+
InChIKeySQPJQVNNXUXWLU-YDZHTSKRSA-N
XLogP3.44
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.44
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-hydroxynaphthalen-1-yl)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-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (CID 135717473) is 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is O=C(CCn1cnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The InChIKey is SQPJQVNNXUXWLU-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20-10-9-15-5-1-2-6-16(15)17(20)13-23-24-21(27)11-12-25-14-22-18-7-3-4-8-19(18)25/h1-10,13-14,26H,11-12H2,(H,24,27)/b23-13+.
What are the key properties of 3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
3-(benzimidazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide has a molecular weight of 358.40 g/mol, XLogP of 3.44, 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-hydroxynaphthalen-1-yl)methylideneamino]propanamide is sourced from PubChem (CID 135717473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).