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

C28H30ClN3O2 — CID 16979490

IUPAC2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCCc1ccc(OCCCn2c(CCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C28H30ClN3O2/c1-2-21-10-14-24(15-11-21)34-19-5-18-32-26-7-4-3-6-25(26)31-27(32)16-17-30-28(33)20-22-8-12-23(29)13-9-22/h3-4,6-15H,2,5,16-20H2,1H3,(H,30,33)
InChIKeyMRJSMDIBGLGIBD-UHFFFAOYSA-N
MW476.02 g/mol
LogP5.62
Rot. Bonds11

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

2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979490) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16979490
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC Name2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCCc1ccc(OCCCn2c(CCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C28H30ClN3O2/c1-2-21-10-14-24(15-11-21)34-19-5-18-32-26-7-4-3-6-25(26)31-27(32)16-17-30-28(33)20-22-8-12-23(29)13-9-22/h3-4,6-15H,2,5,16-20H2,1H3,(H,30,33)
InChIKeyMRJSMDIBGLGIBD-UHFFFAOYSA-N
XLogP5.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 55.62
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

2-(4-chlorophenoxy)-N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16986473
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974334
2-(4-chlorophenyl)-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979515
2-(4-chlorophenyl)-N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979485
N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978970
N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979159
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
2-(4-chlorophenoxy)-N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978882
N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979975
2-(3,4-dimethoxyphenyl)-N-[2-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979838
4-chloro-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991498
4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984617

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979490) is 2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide is CCc1ccc(OCCCn2c(CCNC(=O)Cc3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is MRJSMDIBGLGIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-2-21-10-14-24(15-11-21)34-19-5-18-32-26-7-4-3-6-25(26)31-27(32)16-17-30-28(33)20-22-8-12-23(29)13-9-22/h3-4,6-15H,2,5,16-20H2,1H3,(H,30,33).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 476.02 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).