(E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide

C22H24N4O4 — CID 11774185

IUPAC(E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCCn1c(CCNC(=O)COc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C22H24N4O4/c1-2-26-19-10-8-16(9-11-21(27)25-29)14-18(19)24-20(26)12-13-23-22(28)15-30-17-6-4-3-5-7-17/h3-11,14,29H,2,12-13,15H2,1H3,(H,23,28)(H,25,27)/b11-9+
InChIKeyIUTHAWYDMZDRLK-PKNBQFBNSA-N
MW408.46 g/mol
LogP2.31
Rot. Bonds9

About (E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 11774185) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID11774185
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCCn1c(CCNC(=O)COc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C22H24N4O4/c1-2-26-19-10-8-16(9-11-21(27)25-29)14-18(19)24-20(26)12-13-23-22(28)15-30-17-6-4-3-5-7-17/h3-11,14,29H,2,12-13,15H2,1H3,(H,23,28)(H,25,27)/b11-9+
InChIKeyIUTHAWYDMZDRLK-PKNBQFBNSA-N
XLogP2.31
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.31
H-Bond Donors ≤ 53
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)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide (CID 11774185) is (E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide is CCn1c(CCNC(=O)COc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.
What is the InChIKey of (E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is IUTHAWYDMZDRLK-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-2-26-19-10-8-16(9-11-21(27)25-29)14-18(19)24-20(26)12-13-23-22(28)15-30-17-6-4-3-5-7-17/h3-11,14,29H,2,12-13,15H2,1H3,(H,23,28)(H,25,27)/b11-9+.
What are the key properties of (E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 408.46 g/mol, XLogP of 2.31, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11774185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).