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

C26H26ClN3O3 — CID 16976753

IUPACN-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3n2CCCOc2ccccc2Cl)cc1
InChIInChI=1S/C26H26ClN3O3/c1-32-20-13-11-19(12-14-20)26(31)28-16-15-25-29-22-8-3-4-9-23(22)30(25)17-6-18-33-24-10-5-2-7-21(24)27/h2-5,7-14H,6,15-18H2,1H3,(H,28,31)
InChIKeyYSWZSIMTOWXQIR-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.14
Rot. Bonds10

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

N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide (PubChem CID 16976753) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
PubChem CID16976753
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC NameN-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3n2CCCOc2ccccc2Cl)cc1
InChIInChI=1S/C26H26ClN3O3/c1-32-20-13-11-19(12-14-20)26(31)28-16-15-25-29-22-8-3-4-9-23(22)30(25)17-6-18-33-24-10-5-2-7-21(24)27/h2-5,7-14H,6,15-18H2,1H3,(H,28,31)
InChIKeyYSWZSIMTOWXQIR-UHFFFAOYSA-N
XLogP5.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.14
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

4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
3-bromo-N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977819
4-bromo-N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991623
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976429
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975007
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
4-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984633
4-methoxy-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976791
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989384
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide
CID 139033693
4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976598

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide (CID 16976753) is N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2nc3ccccc3n2CCCOc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
The InChIKey is YSWZSIMTOWXQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-32-20-13-11-19(12-14-20)26(31)28-16-15-25-29-22-8-3-4-9-23(22)30(25)17-6-18-33-24-10-5-2-7-21(24)27/h2-5,7-14H,6,15-18H2,1H3,(H,28,31).
What are the key properties of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide has a molecular weight of 463.97 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 16976753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).