1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

C26H24FN3O3 — CID 3160034

IUPAC1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H24FN3O3/c1-32-23-8-4-5-9-24(23)33-15-14-29-22-7-3-2-6-21(22)28-26(29)18-16-25(31)30(17-18)20-12-10-19(27)11-13-20/h2-13,18H,14-17H2,1H3
InChIKeyHJJLNGSRUPIKBB-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.78
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 3160034) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID3160034
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H24FN3O3/c1-32-23-8-4-5-9-24(23)33-15-14-29-22-7-3-2-6-21(22)28-26(29)18-16-25(31)30(17-18)20-12-10-19(27)11-13-20/h2-13,18H,14-17H2,1H3
InChIKeyHJJLNGSRUPIKBB-UHFFFAOYSA-N
XLogP4.78
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(4-fluorophenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814113
4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 18889135
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813551
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814165
1-(4-ethylphenyl)-4-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753786
1-(4-ethylphenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004899
(4S)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792554
1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889144
(4R)-1-(2,5-dimethoxyphenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814702
1-(4-butylphenyl)-4-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005116
(4S)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7538413
(4R)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7538411

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 3160034) is 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is COc1ccccc1OCCn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is HJJLNGSRUPIKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-32-23-8-4-5-9-24(23)33-15-14-29-22-7-3-2-6-21(22)28-26(29)18-16-25(31)30(17-18)20-12-10-19(27)11-13-20/h2-13,18H,14-17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 445.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 3160034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).