N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide

C21H24ClN3O2 — CID 3160779

IUPACN-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-16(26)23-13-12-21-24-19-6-2-3-7-20(19)25(21)14-4-5-15-27-18-10-8-17(22)9-11-18/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,26)
InChIKeyDSZBECSXCSIWMO-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.23
Rot. Bonds9

About N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide

N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 3160779) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID3160779
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-16(26)23-13-12-21-24-19-6-2-3-7-20(19)25(21)14-4-5-15-27-18-10-8-17(22)9-11-18/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,26)
InChIKeyDSZBECSXCSIWMO-UHFFFAOYSA-N
XLogP4.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide (CID 3160779) is N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is DSZBECSXCSIWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-16(26)23-13-12-21-24-19-6-2-3-7-20(19)25(21)14-4-5-15-27-18-10-8-17(22)9-11-18/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,26).
What are the key properties of N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 3160779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).