N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide

C25H24ClN3O2 — CID 16970652

IUPACN-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O2/c26-20-11-13-21(14-12-20)31-17-16-29-23-9-5-4-8-22(23)28-24(29)18-27-25(30)15-10-19-6-2-1-3-7-19/h1-9,11-14H,10,15-18H2,(H,27,30)
InChIKeyZUTWJXUGSXMSOI-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.02
Rot. Bonds9

About N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide

N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide (PubChem CID 16970652) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
PubChem CID16970652
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O2/c26-20-11-13-21(14-12-20)31-17-16-29-23-9-5-4-8-22(23)28-24(29)18-27-25(30)15-10-19-6-2-1-3-7-19/h1-9,11-14H,10,15-18H2,(H,27,30)
InChIKeyZUTWJXUGSXMSOI-UHFFFAOYSA-N
XLogP5.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992574
N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978970
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970706
2-(4-chlorophenoxy)-N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971189
2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 16971124
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
2-(4-chlorophenoxy)-N-[(1-pentylbenzimidazol-2-yl)methyl]acetamide
CID 16971076
2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
CID 16971079
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982245
N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17006087

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide (CID 16970652) is N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCc1nc2ccccc2n1CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is ZUTWJXUGSXMSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c26-20-11-13-21(14-12-20)31-17-16-29-23-9-5-4-8-22(23)28-24(29)18-27-25(30)15-10-19-6-2-1-3-7-19/h1-9,11-14H,10,15-18H2,(H,27,30).
What are the key properties of N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 433.94 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 16970652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).