N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide

C28H30ClN3O3 — CID 16991278

IUPACN-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H30ClN3O3/c1-34-23-14-10-21(11-15-23)28(33)30-18-6-2-3-9-27-31-25-7-4-5-8-26(25)32(27)19-20-35-24-16-12-22(29)13-17-24/h4-5,7-8,10-17H,2-3,6,9,18-20H2,1H3,(H,30,33)
InChIKeyFKDHELRTFVGMEZ-UHFFFAOYSA-N
MW492.02 g/mol
LogP5.92
Rot. Bonds12

About N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide

N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide (PubChem CID 16991278) has the molecular formula C28H30ClN3O3 and a molecular weight of 492.02 g/mol. Its IUPAC name is N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
PubChem CID16991278
Molecular FormulaC28H30ClN3O3
Molecular Weight492.02 g/mol
Exact Mass491.20
IUPAC NameN-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H30ClN3O3/c1-34-23-14-10-21(11-15-23)28(33)30-18-6-2-3-9-27-31-25-7-4-5-8-26(25)32(27)19-20-35-24-16-12-22(29)13-17-24/h4-5,7-8,10-17H,2-3,6,9,18-20H2,1H3,(H,30,33)
InChIKeyFKDHELRTFVGMEZ-UHFFFAOYSA-N
XLogP5.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 55.92
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

N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982245
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991275
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
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
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991315
N-[5-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991791
3,4-dimethoxy-N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990960
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991435

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
The IUPAC name of N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide (CID 16991278) is N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
The InChIKey is FKDHELRTFVGMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O3/c1-34-23-14-10-21(11-15-23)28(33)30-18-6-2-3-9-27-31-25-7-4-5-8-26(25)32(27)19-20-35-24-16-12-22(29)13-17-24/h4-5,7-8,10-17H,2-3,6,9,18-20H2,1H3,(H,30,33).
What are the key properties of N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide?
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide has a molecular weight of 492.02 g/mol, XLogP of 5.92, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide is sourced from PubChem (CID 16991278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).