2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide

C27H27N3O2 — CID 16986259

IUPAC2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide
SMILESO=C(COc1ccccc1)NCCCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C27H27N3O2/c31-27(21-32-23-14-5-2-6-15-23)28-19-9-18-26-29-24-16-7-8-17-25(24)30(26)20-10-13-22-11-3-1-4-12-22/h1-8,10-17H,9,18-21H2,(H,28,31)/b13-10+
InChIKeyZCBIMERAXONWFM-JLHYYAGUSA-N
MW425.53 g/mol
LogP4.88
Rot. Bonds10

About 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide

2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16986259) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16986259
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide
SMILESO=C(COc1ccccc1)NCCCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C27H27N3O2/c31-27(21-32-23-14-5-2-6-15-23)28-19-9-18-26-29-24-16-7-8-17-25(24)30(26)20-10-13-22-11-3-1-4-12-22/h1-8,10-17H,9,18-21H2,(H,28,31)/b13-10+
InChIKeyZCBIMERAXONWFM-JLHYYAGUSA-N
XLogP4.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16980700
3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16986040
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988182
3-methoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]benzamide
CID 16983669
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
(E)-3-phenyl-N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992718
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
2-methyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]benzamide
CID 16982389
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986246
(E)-N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888967

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide (CID 16986259) is 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide is O=C(COc1ccccc1)NCCCc1nc2ccccc2n1C/C=C/c1ccccc1.
What is the InChIKey of 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is ZCBIMERAXONWFM-JLHYYAGUSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-27(21-32-23-14-5-2-6-15-23)28-19-9-18-26-29-24-16-7-8-17-25(24)30(26)20-10-13-22-11-3-1-4-12-22/h1-8,10-17H,9,18-21H2,(H,28,31)/b13-10+.
What are the key properties of 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide?
2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16986259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).