3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

C26H30N4O2 — CID 72967329

IUPAC3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN1CCCC(n2c(-c3cccc(C=CC(=O)NO)c3)nc(-c3ccccc3)c2C)C1
InChIInChI=1S/C26H30N4O2/c1-3-29-16-8-13-23(18-29)30-19(2)25(21-10-5-4-6-11-21)27-26(30)22-12-7-9-20(17-22)14-15-24(31)28-32/h4-7,9-12,14-15,17,23,32H,3,8,13,16,18H2,1-2H3,(H,28,31)
InChIKeyJUZHEHDMLFNSPC-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.70
Rot. Bonds6

About 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 72967329) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID72967329
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN1CCCC(n2c(-c3cccc(C=CC(=O)NO)c3)nc(-c3ccccc3)c2C)C1
InChIInChI=1S/C26H30N4O2/c1-3-29-16-8-13-23(18-29)30-19(2)25(21-10-5-4-6-11-21)27-26(30)22-12-7-9-20(17-22)14-15-24(31)28-32/h4-7,9-12,14-15,17,23,32H,3,8,13,16,18H2,1-2H3,(H,28,31)
InChIKeyJUZHEHDMLFNSPC-UHFFFAOYSA-N
XLogP4.70
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.70
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 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (CID 72967329) is 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is CCN1CCCC(n2c(-c3cccc(C=CC(=O)NO)c3)nc(-c3ccccc3)c2C)C1.
What is the InChIKey of 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is JUZHEHDMLFNSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-29-16-8-13-23(18-29)30-19(2)25(21-10-5-4-6-11-21)27-26(30)22-12-7-9-20(17-22)14-15-24(31)28-32/h4-7,9-12,14-15,17,23,32H,3,8,13,16,18H2,1-2H3,(H,28,31).
What are the key properties of 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 430.55 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 72967329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).