3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide

C26H27N3O — CID 16978263

IUPAC3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C26H27N3O/c30-26(16-15-21-9-3-1-4-10-21)27-19-17-25-28-23-13-7-8-14-24(23)29(25)20-18-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,27,30)
InChIKeyAGVZQXCMNGDVNE-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.57
Rot. Bonds9

About 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide

3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16978263) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID16978263
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C26H27N3O/c30-26(16-15-21-9-3-1-4-10-21)27-19-17-25-28-23-13-7-8-14-24(23)29(25)20-18-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,27,30)
InChIKeyAGVZQXCMNGDVNE-UHFFFAOYSA-N
XLogP4.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978268
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978331
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978316
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985995
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992530
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986079
N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986093
3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16986040

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide (CID 16978263) is 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide is O=C(CCc1ccccc1)NCCc1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is AGVZQXCMNGDVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c30-26(16-15-21-9-3-1-4-10-21)27-19-17-25-28-23-13-7-8-14-24(23)29(25)20-18-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,27,30).
What are the key properties of 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16978263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).