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

C23H26ClN3O2 — CID 17002482

IUPAC4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C23H26ClN3O2/c1-2-26-16-17(15-22(26)28)23-25-20-7-3-4-8-21(20)27(23)13-5-6-14-29-19-11-9-18(24)10-12-19/h3-4,7-12,17H,2,5-6,13-16H2,1H3
InChIKeyOMKFGYNJAPWXFF-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.88
Rot. Bonds8

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

4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one (PubChem CID 17002482) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
PubChem CID17002482
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C23H26ClN3O2/c1-2-26-16-17(15-22(26)28)23-25-20-7-3-4-8-21(20)27(23)13-5-6-14-29-19-11-9-18(24)10-12-19/h3-4,7-12,17H,2,5-6,13-16H2,1H3
InChIKeyOMKFGYNJAPWXFF-UHFFFAOYSA-N
XLogP4.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.88
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

4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 6491138
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005650
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 18889097
4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242855
(4R)-1-(4-chlorophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813996
1-benzyl-4-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005501
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002423
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 4038407
(4R)-4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814128
4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005804

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one (CID 17002482) is 4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one is CCN1CC(c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The InChIKey is OMKFGYNJAPWXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-2-26-16-17(15-22(26)28)23-25-20-7-3-4-8-21(20)27(23)13-5-6-14-29-19-11-9-18(24)10-12-19/h3-4,7-12,17H,2,5-6,13-16H2,1H3.
What are the key properties of 4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one has a molecular weight of 411.93 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 17002482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).