N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide

C27H28ClN3O2 — CID 16979159

IUPACN-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C27H28ClN3O2/c1-20-7-2-3-8-21(20)19-27(32)29-16-15-26-30-24-9-4-5-10-25(24)31(26)17-6-18-33-23-13-11-22(28)12-14-23/h2-5,7-14H,6,15-19H2,1H3,(H,29,32)
InChIKeyGPSNUZKEZUXCAN-UHFFFAOYSA-N
MW461.99 g/mol
LogP5.37
Rot. Bonds10

About N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide

N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 16979159) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
PubChem CID16979159
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC NameN-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C27H28ClN3O2/c1-20-7-2-3-8-21(20)19-27(32)29-16-15-26-30-24-9-4-5-10-25(24)31(26)17-6-18-33-23-13-11-22(28)12-14-23/h2-5,7-14H,6,15-19H2,1H3,(H,29,32)
InChIKeyGPSNUZKEZUXCAN-UHFFFAOYSA-N
XLogP5.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 55.37
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-[2-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979156
2-(4-chlorophenyl)-N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979485
2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979490
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993574
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
N-[2-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979182
N-[2-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenoxy)acetamide
CID 16978852
2-(4-chlorophenyl)-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979515
N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-chlorophenyl)acetamide
CID 16979319
N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978970
N-[2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979146
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979073

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (CID 16979159) is N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is GPSNUZKEZUXCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-20-7-2-3-8-21(20)19-27(32)29-16-15-26-30-24-9-4-5-10-25(24)31(26)17-6-18-33-23-13-11-22(28)12-14-23/h2-5,7-14H,6,15-19H2,1H3,(H,29,32).
What are the key properties of N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 461.99 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16979159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).