(E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide

C26H25N3O2 — CID 11212063

IUPAC(E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCc1ccccc1)NO
InChIInChI=1S/C26H25N3O2/c30-26(28-31)16-13-22-11-14-24-23(19-22)27-25(15-12-20-7-3-1-4-8-20)29(24)18-17-21-9-5-2-6-10-21/h1-11,13-14,16,19,31H,12,15,17-18H2,(H,28,30)/b16-13+
InChIKeyNVHALBAGLRENOI-DTQAZKPQSA-N
MW411.51 g/mol
LogP4.58
Rot. Bonds8

About (E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 11212063) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID11212063
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name(E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCc1ccccc1)NO
InChIInChI=1S/C26H25N3O2/c30-26(28-31)16-13-22-11-14-24-23(19-22)27-25(15-12-20-7-3-1-4-8-20)29(24)18-17-21-9-5-2-6-10-21/h1-11,13-14,16,19,31H,12,15,17-18H2,(H,28,30)/b16-13+
InChIKeyNVHALBAGLRENOI-DTQAZKPQSA-N
XLogP4.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (CID 11212063) is (E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCc1ccccc1)NO.
What is the InChIKey of (E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is NVHALBAGLRENOI-DTQAZKPQSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-26(28-31)16-13-22-11-14-24-23(19-22)27-25(15-12-20-7-3-1-4-8-20)29(24)18-17-21-9-5-2-6-10-21/h1-11,13-14,16,19,31H,12,15,17-18H2,(H,28,30)/b16-13+.
What are the key properties of (E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 411.51 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1,2-bis(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11212063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).