(E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide

C24H28N4O3 — CID 11774481

IUPAC(E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCOCC1)NO
InChIInChI=1S/C24H28N4O3/c29-24(26-30)11-8-20-6-9-22-21(18-20)25-23(10-7-19-4-2-1-3-5-19)28(22)13-12-27-14-16-31-17-15-27/h1-6,8-9,11,18,30H,7,10,12-17H2,(H,26,29)/b11-8+
InChIKeyJMWCDNZQKRQNGS-DHZHZOJOSA-N
MW420.51 g/mol
LogP2.67
Rot. Bonds8

About (E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 11774481) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
PubChem CID11774481
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCOCC1)NO
InChIInChI=1S/C24H28N4O3/c29-24(26-30)11-8-20-6-9-22-21(18-20)25-23(10-7-19-4-2-1-3-5-19)28(22)13-12-27-14-16-31-17-15-27/h1-6,8-9,11,18,30H,7,10,12-17H2,(H,26,29)/b11-8+
InChIKeyJMWCDNZQKRQNGS-DHZHZOJOSA-N
XLogP2.67
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide (CID 11774481) is (E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCOCC1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
The InChIKey is JMWCDNZQKRQNGS-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-24(26-30)11-8-20-6-9-22-21(18-20)25-23(10-7-19-4-2-1-3-5-19)28(22)13-12-27-14-16-31-17-15-27/h1-6,8-9,11,18,30H,7,10,12-17H2,(H,26,29)/b11-8+.
What are the key properties of (E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 420.51 g/mol, XLogP of 2.67, 8 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-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11774481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).