N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide

C17H16N4O2 — CID 44791043

IUPACN-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
SMILESCCn1c(/C=N/NC(=O)c2ccccc2O)nc2ccccc21
InChIInChI=1S/C17H16N4O2/c1-2-21-14-9-5-4-8-13(14)19-16(21)11-18-20-17(23)12-7-3-6-10-15(12)22/h3-11,22H,2H2,1H3,(H,20,23)/b18-11+
InChIKeyOLNHYWSJLXATBV-WOJGMQOQSA-N
MW308.34 g/mol
LogP2.53
Rot. Bonds4

About N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide (PubChem CID 44791043) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
PubChem CID44791043
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
SMILESCCn1c(/C=N/NC(=O)c2ccccc2O)nc2ccccc21
InChIInChI=1S/C17H16N4O2/c1-2-21-14-9-5-4-8-13(14)19-16(21)11-18-20-17(23)12-7-3-6-10-15(12)22/h3-11,22H,2H2,1H3,(H,20,23)/b18-11+
InChIKeyOLNHYWSJLXATBV-WOJGMQOQSA-N
XLogP2.53
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
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'}

Analyze N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide 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 N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide (CID 44791043) is N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide is CCn1c(/C=N/NC(=O)c2ccccc2O)nc2ccccc21.
What is the InChIKey of N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is OLNHYWSJLXATBV-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-21-14-9-5-4-8-13(14)19-16(21)11-18-20-17(23)12-7-3-6-10-15(12)22/h3-11,22H,2H2,1H3,(H,20,23)/b18-11+.
What are the key properties of N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 308.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 44791043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).