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

C26H27N3O — CID 16970469

IUPAC3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1)c1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C26H27N3O/c1-20(27-25(30)17-16-21-10-4-2-5-11-21)26-28-23-14-8-9-15-24(23)29(26)19-18-22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3,(H,27,30)
InChIKeyMKNNBODYFFLDSN-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.09
Rot. Bonds8

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

3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16970469) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID16970469
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1)c1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C26H27N3O/c1-20(27-25(30)17-16-21-10-4-2-5-11-21)26-28-23-14-8-9-15-24(23)29(26)19-18-22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3,(H,27,30)
InChIKeyMKNNBODYFFLDSN-UHFFFAOYSA-N
XLogP5.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970466
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970511
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970447
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969198
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 124571675
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969046
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972651
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide (CID 16970469) is 3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide is CC(NC(=O)CCc1ccccc1)c1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is MKNNBODYFFLDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-20(27-25(30)17-16-21-10-4-2-5-11-21)26-28-23-14-8-9-15-24(23)29(26)19-18-22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3,(H,27,30).
What are the key properties of 3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide?
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16970469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).