(E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

C23H26N4O2 — CID 10068980

IUPAC(E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN1CCCC(n2c(-c3cccc(/C=C/C(=O)NO)c3)nc3ccccc32)C1
InChIInChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+
InChIKeyRILOBLOUHFZQRQ-OUKQBFOZSA-N
MW390.49 g/mol
LogP3.88
Rot. Bonds5

About (E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 10068980) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID10068980
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN1CCCC(n2c(-c3cccc(/C=C/C(=O)NO)c3)nc3ccccc32)C1
InChIInChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+
InChIKeyRILOBLOUHFZQRQ-OUKQBFOZSA-N
XLogP3.88
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.88
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)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (CID 10068980) is (E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is CCN1CCCC(n2c(-c3cccc(/C=C/C(=O)NO)c3)nc3ccccc32)C1.
What is the InChIKey of (E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is RILOBLOUHFZQRQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+.
What are the key properties of (E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 390.49 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 10068980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).