4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one

C26H30ClN3O2 — CID 16965317

IUPAC4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCCOc2ccccc2Cl)CN1C1CCCC1
InChIInChI=1S/C26H30ClN3O2/c27-21-11-3-6-14-24(21)32-16-8-7-15-29-23-13-5-4-12-22(23)28-26(29)19-17-25(31)30(18-19)20-9-1-2-10-20/h3-6,11-14,19-20H,1-2,7-10,15-18H2
InChIKeyCAZHYTDOZWVHNI-UHFFFAOYSA-N
MW452.00 g/mol
LogP5.81
Rot. Bonds8

About 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one

4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 16965317) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
PubChem CID16965317
Molecular FormulaC26H30ClN3O2
Molecular Weight452.00 g/mol
Exact Mass451.20
IUPAC Name4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCCOc2ccccc2Cl)CN1C1CCCC1
InChIInChI=1S/C26H30ClN3O2/c27-21-11-3-6-14-24(21)32-16-8-7-15-29-23-13-5-4-12-22(23)28-26(29)19-17-25(31)30(18-19)20-9-1-2-10-20/h3-6,11-14,19-20H,1-2,7-10,15-18H2
InChIKeyCAZHYTDOZWVHNI-UHFFFAOYSA-N
XLogP5.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965306
1-cyclopentyl-4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965277
1-cyclopentyl-4-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965308
1-cyclohexyl-4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005389
1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005345
(4R)-4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814109
1-cyclohexyl-4-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005379
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 17003706
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003223
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003473
1-cyclopentyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965220
4-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005361

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one (CID 16965317) is 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCCCOc2ccccc2Cl)CN1C1CCCC1.
What is the InChIKey of 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is CAZHYTDOZWVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2/c27-21-11-3-6-14-24(21)32-16-8-7-15-29-23-13-5-4-12-22(23)28-26(29)19-17-25(31)30(18-19)20-9-1-2-10-20/h3-6,11-14,19-20H,1-2,7-10,15-18H2.
What are the key properties of 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 452.00 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 16965317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).