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

C25H23Cl2N3O2 — CID 16982726

IUPAC2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c26-19-9-2-1-8-18(19)25(31)28-15-7-14-24-29-21-11-4-5-12-22(21)30(24)16-17-32-23-13-6-3-10-20(23)27/h1-6,8-13H,7,14-17H2,(H,28,31)
InChIKeyNDJNOPAMWXYYOE-UHFFFAOYSA-N
MW468.38 g/mol
LogP5.78
Rot. Bonds9

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

2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982726) has the molecular formula C25H23Cl2N3O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16982726
Molecular FormulaC25H23Cl2N3O2
Molecular Weight468.38 g/mol
Exact Mass467.12
IUPAC Name2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c26-19-9-2-1-8-18(19)25(31)28-15-7-14-24-29-21-11-4-5-12-22(21)30(24)16-17-32-23-13-6-3-10-20(23)27/h1-6,8-13H,7,14-17H2,(H,28,31)
InChIKeyNDJNOPAMWXYYOE-UHFFFAOYSA-N
XLogP5.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 55.78
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-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982739
2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989812
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749
4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991435
3-bromo-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983358
2-chloro-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982734
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989384
N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-chlorophenyl)acetamide
CID 16993865
2-chloro-N-[3-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982759
3-chloro-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977955
2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976138
N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986327

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (CID 16982726) is 2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is NDJNOPAMWXYYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O2/c26-19-9-2-1-8-18(19)25(31)28-15-7-14-24-29-21-11-4-5-12-22(21)30(24)16-17-32-23-13-6-3-10-20(23)27/h1-6,8-13H,7,14-17H2,(H,28,31).
What are the key properties of 2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 468.38 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).