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

C21H24ClN3O3 — CID 16971996

IUPAC2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCCOCCn1c(C(C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H24ClN3O3/c1-3-27-13-12-25-19-7-5-4-6-18(19)24-21(25)15(2)23-20(26)14-28-17-10-8-16(22)9-11-17/h4-11,15H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyGUWBQFQTHIRHLS-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.98
Rot. Bonds9

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

2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16971996) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID16971996
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCCOCCn1c(C(C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H24ClN3O3/c1-3-27-13-12-25-19-7-5-4-6-18(19)24-21(25)15(2)23-20(26)14-28-17-10-8-16(22)9-11-17/h4-11,15H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyGUWBQFQTHIRHLS-UHFFFAOYSA-N
XLogP3.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971935
2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968787
2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16972001
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971773
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968171
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
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-benzyl-2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N-methylacetamide
CID 16972008
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide (CID 16971996) is 2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide is CCOCCn1c(C(C)NC(=O)COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is GUWBQFQTHIRHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-3-27-13-12-25-19-7-5-4-6-18(19)24-21(25)15(2)23-20(26)14-28-17-10-8-16(22)9-11-17/h4-11,15H,3,12-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 401.89 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16971996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).