(E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide

C22H24N4O3 — CID 10340474

IUPAC(E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3ccccc3n2CCN2CCOCC2)c1)NO
InChIInChI=1S/C22H24N4O3/c27-21(24-28)9-8-17-4-3-5-18(16-17)22-23-19-6-1-2-7-20(19)26(22)11-10-25-12-14-29-15-13-25/h1-9,16,28H,10-15H2,(H,24,27)/b9-8+
InChIKeyPRFVRQDWLLQIJO-CMDGGOBGSA-N
MW392.46 g/mol
LogP2.55
Rot. Bonds6

About (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide (PubChem CID 10340474) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
PubChem CID10340474
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3ccccc3n2CCN2CCOCC2)c1)NO
InChIInChI=1S/C22H24N4O3/c27-21(24-28)9-8-17-4-3-5-18(16-17)22-23-19-6-1-2-7-20(19)26(22)11-10-25-12-14-29-15-13-25/h1-9,16,28H,10-15H2,(H,24,27)/b9-8+
InChIKeyPRFVRQDWLLQIJO-CMDGGOBGSA-N
XLogP2.55
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide 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 (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide (CID 10340474) is (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide is O=C(/C=C/c1cccc(-c2nc3ccccc3n2CCN2CCOCC2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The InChIKey is PRFVRQDWLLQIJO-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-21(24-28)9-8-17-4-3-5-18(16-17)22-23-19-6-1-2-7-20(19)26(22)11-10-25-12-14-29-15-13-25/h1-9,16,28H,10-15H2,(H,24,27)/b9-8+.
What are the key properties of (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 10340474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).