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

C24H26N4O2 — CID 59715945

IUPAC(E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESC=CCN1CCCC(n2c(-c3cccc(/C=C/C(=O)NO)c3)nc3ccccc32)C1
InChIInChI=1S/C24H26N4O2/c1-2-14-27-15-6-9-20(17-27)28-22-11-4-3-10-21(22)25-24(28)19-8-5-7-18(16-19)12-13-23(29)26-30/h2-5,7-8,10-13,16,20,30H,1,6,9,14-15,17H2,(H,26,29)/b13-12+
InChIKeyHKAMYORAIZBOMO-OUKQBFOZSA-N
MW402.50 g/mol
LogP4.04
Rot. Bonds6

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

(E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide (PubChem CID 59715945) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide
PubChem CID59715945
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESC=CCN1CCCC(n2c(-c3cccc(/C=C/C(=O)NO)c3)nc3ccccc32)C1
InChIInChI=1S/C24H26N4O2/c1-2-14-27-15-6-9-20(17-27)28-22-11-4-3-10-21(22)25-24(28)19-8-5-7-18(16-19)12-13-23(29)26-30/h2-5,7-8,10-13,16,20,30H,1,6,9,14-15,17H2,(H,26,29)/b13-12+
InChIKeyHKAMYORAIZBOMO-OUKQBFOZSA-N
XLogP4.04
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide (CID 59715945) is (E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide is C=CCN1CCCC(n2c(-c3cccc(/C=C/C(=O)NO)c3)nc3ccccc32)C1.
What is the InChIKey of (E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The InChIKey is HKAMYORAIZBOMO-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-14-27-15-6-9-20(17-27)28-22-11-4-3-10-21(22)25-24(28)19-8-5-7-18(16-19)12-13-23(29)26-30/h2-5,7-8,10-13,16,20,30H,1,6,9,14-15,17H2,(H,26,29)/b13-12+.
What are the key properties of (E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide has a molecular weight of 402.50 g/mol, XLogP of 4.04, 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-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 59715945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).