N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide

C25H31N3O — CID 16988182

IUPACN-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide
SMILESCCCC(=O)NCCCCCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C25H31N3O/c1-2-12-25(29)26-19-10-4-7-18-24-27-22-16-8-9-17-23(22)28(24)20-11-15-21-13-5-3-6-14-21/h3,5-6,8-9,11,13-17H,2,4,7,10,12,18-20H2,1H3,(H,26,29)/b15-11+
InChIKeyADEJEIKXYSHICL-RVDMUPIBSA-N
MW389.54 g/mol
LogP5.38
Rot. Bonds11

About N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide

N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide (PubChem CID 16988182) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide.

Molecular Properties

Compound NameN-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide
PubChem CID16988182
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide
SMILESCCCC(=O)NCCCCCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C25H31N3O/c1-2-12-25(29)26-19-10-4-7-18-24-27-22-16-8-9-17-23(22)28(24)20-11-15-21-13-5-3-6-14-21/h3,5-6,8-9,11,13-17H,2,4,7,10,12,18-20H2,1H3,(H,26,29)/b15-11+
InChIKeyADEJEIKXYSHICL-RVDMUPIBSA-N
XLogP5.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
(E)-3-phenyl-N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992718
2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide
CID 16986259
2-methyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]benzamide
CID 16982389
2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974740
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988157
N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988267
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide?
The IUPAC name of N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide (CID 16988182) is N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide.
What is the SMILES notation for N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide?
The canonical SMILES for N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide is CCCC(=O)NCCCCCc1nc2ccccc2n1C/C=C/c1ccccc1.
What is the InChIKey of N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide?
The InChIKey is ADEJEIKXYSHICL-RVDMUPIBSA-N. The full InChI is InChI=1S/C25H31N3O/c1-2-12-25(29)26-19-10-4-7-18-24-27-22-16-8-9-17-23(22)28(24)20-11-15-21-13-5-3-6-14-21/h3,5-6,8-9,11,13-17H,2,4,7,10,12,18-20H2,1H3,(H,26,29)/b15-11+.
What are the key properties of N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide?
N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide has a molecular weight of 389.54 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide is sourced from PubChem (CID 16988182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).