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

C25H24ClN3O2 — CID 16982245

IUPACN-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H24ClN3O2/c26-20-12-14-21(15-13-20)31-18-17-29-23-10-5-4-9-22(23)28-24(29)11-6-16-27-25(30)19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-18H2,(H,27,30)
InChIKeyCHKSAFBFMCXIAR-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.13
Rot. Bonds9

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

N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982245) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16982245
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H24ClN3O2/c26-20-12-14-21(15-13-20)31-18-17-29-23-10-5-4-9-22(23)28-24(29)11-6-16-27-25(30)19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-18H2,(H,27,30)
InChIKeyCHKSAFBFMCXIAR-UHFFFAOYSA-N
XLogP5.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.13
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

4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984617
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
3-bromo-N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990630
3-chloro-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977960
4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977496
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982304
N-[5-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991791
4-chloro-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984607
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (CID 16982245) is N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is CHKSAFBFMCXIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c26-20-12-14-21(15-13-20)31-18-17-29-23-10-5-4-9-22(23)28-24(29)11-6-16-27-25(30)19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-18H2,(H,27,30).
What are the key properties of N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 433.94 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).