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

C20H22ClN3O2 — CID 16968171

IUPACN-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2/c1-14(22-15(2)25)20-23-18-6-3-4-7-19(18)24(20)12-5-13-26-17-10-8-16(21)9-11-17/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,25)
InChIKeyOJTWCTKLZGWHEM-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.36
Rot. Bonds7

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

N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16968171) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16968171
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2/c1-14(22-15(2)25)20-23-18-6-3-4-7-19(18)24(20)12-5-13-26-17-10-8-16(21)9-11-17/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,25)
InChIKeyOJTWCTKLZGWHEM-UHFFFAOYSA-N
XLogP4.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.36
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-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968787
N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969422
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
2-(4-chlorophenyl)-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973092
2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969366
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968167
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009863
2-(4-chlorophenoxy)-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971935
2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16971996
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide (CID 16968171) is N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)NC(C)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is OJTWCTKLZGWHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-14(22-15(2)25)20-23-18-6-3-4-7-19(18)24(20)12-5-13-26-17-10-8-16(21)9-11-17/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 371.87 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16968171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).