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

C27H26FN3O2 — CID 17005590

IUPAC1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccccc1OCCn1c(C2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C27H26FN3O2/c1-19-6-2-5-9-25(19)33-15-14-31-24-8-4-3-7-23(24)29-27(31)21-16-26(32)30(18-21)17-20-10-12-22(28)13-11-20/h2-13,21H,14-18H2,1H3
InChIKeyFIHMAEHIKOPTHT-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.08
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17005590) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17005590
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccccc1OCCn1c(C2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C27H26FN3O2/c1-19-6-2-5-9-25(19)33-15-14-31-24-8-4-3-7-23(24)29-27(31)21-16-26(32)30(18-21)17-20-10-12-22(28)13-11-20/h2-13,21H,14-18H2,1H3
InChIKeyFIHMAEHIKOPTHT-UHFFFAOYSA-N
XLogP5.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005487
(4R)-1-[(4-fluorophenyl)methyl]-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25345355
(4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814660
4-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005685
(4R)-1-benzyl-4-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40836280
(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319
(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346317
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 40698749
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242774
1-[(4-fluorophenyl)methyl]-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005570
(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25345342
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005650

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 17005590) is 1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccccc1OCCn1c(C2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is FIHMAEHIKOPTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-19-6-2-5-9-25(19)33-15-14-31-24-8-4-3-7-23(24)29-27(31)21-16-26(32)30(18-21)17-20-10-12-22(28)13-11-20/h2-13,21H,14-18H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 443.52 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17005590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).