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

C23H20N4O2 — CID 10362593

IUPAC(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3ccccc3n2CCc2ccncc2)c1)NO
InChIInChI=1S/C23H20N4O2/c28-22(26-29)9-8-18-4-3-5-19(16-18)23-25-20-6-1-2-7-21(20)27(23)15-12-17-10-13-24-14-11-17/h1-11,13-14,16,29H,12,15H2,(H,26,28)/b9-8+
InChIKeyKSYXSSRBZLBEHT-CMDGGOBGSA-N
MW384.44 g/mol
LogP3.86
Rot. Bonds6

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

(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide (PubChem CID 10362593) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
PubChem CID10362593
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3ccccc3n2CCc2ccncc2)c1)NO
InChIInChI=1S/C23H20N4O2/c28-22(26-29)9-8-18-4-3-5-19(16-18)23-25-20-6-1-2-7-21(20)27(23)15-12-17-10-13-24-14-11-17/h1-11,13-14,16,29H,12,15H2,(H,26,28)/b9-8+
InChIKeyKSYXSSRBZLBEHT-CMDGGOBGSA-N
XLogP3.86
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide (CID 10362593) is (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide is O=C(/C=C/c1cccc(-c2nc3ccccc3n2CCc2ccncc2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The InChIKey is KSYXSSRBZLBEHT-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22(26-29)9-8-18-4-3-5-19(16-18)23-25-20-6-1-2-7-21(20)27(23)15-12-17-10-13-24-14-11-17/h1-11,13-14,16,29H,12,15H2,(H,26,28)/b9-8+.
What are the key properties of (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide has a molecular weight of 384.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 10362593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).