N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

C22H26ClN3O2 — CID 16980598

IUPACN-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C22H26ClN3O2/c1-16-15-18(10-11-19(16)23)28-14-6-13-26-21-8-4-3-7-20(21)25-22(26)9-5-12-24-17(2)27/h3-4,7-8,10-11,15H,5-6,9,12-14H2,1-2H3,(H,24,27)
InChIKeySUBOWPRKKRWKNA-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.54
Rot. Bonds9

About N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16980598) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16980598
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C22H26ClN3O2/c1-16-15-18(10-11-19(16)23)28-14-6-13-26-21-8-4-3-7-20(21)25-22(26)9-5-12-24-17(2)27/h3-4,7-8,10-11,15H,5-6,9,12-14H2,1-2H3,(H,24,27)
InChIKeySUBOWPRKKRWKNA-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.54
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-[5-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987931
(Z)-N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987113
N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981501
2-chloro-N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982786
N-[5-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988874
(Z)-N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987142
N-[5-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988712
N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985303
N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986113
N-[3-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982406
2-chloro-N-[5-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989875
N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982940

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (CID 16980598) is N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is CC(=O)NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1.
What is the InChIKey of N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is SUBOWPRKKRWKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-15-18(10-11-19(16)23)28-14-6-13-26-21-8-4-3-7-20(21)25-22(26)9-5-12-24-17(2)27/h3-4,7-8,10-11,15H,5-6,9,12-14H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 399.92 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16980598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).