(E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide

C24H25N5O2 — CID 11235378

About (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 11235378) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
• PubChem CID: 11235378
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
• SMILES: O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCCn1ccnc1)NO
• InChI: InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+
• InChIKey: KLDUYMMXGOVQBM-FMIVXFBMSA-N
• XLogP: 3.63
• TPSA: 84.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?

The IUPAC name of (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide (CID 11235378) is (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide.

What is the SMILES notation for (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?

The canonical SMILES for (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCCn1ccnc1)NO.

What is the InChIKey of (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?

The InChIKey is KLDUYMMXGOVQBM-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+.

What are the key properties of (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?

(E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 415.50 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11235378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).