(4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one

C27H27N3O2 — CID 40639936

IUPAC(4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H27N3O2/c1-2-32-23-14-12-22(13-15-23)30-19-21(18-26(30)31)27-28-24-10-6-7-11-25(24)29(27)17-16-20-8-4-3-5-9-20/h3-15,21H,2,16-19H2,1H3/t21-/m1/s1
InChIKeyQFYXLLXJJHKDKX-OAQYLSRUSA-N
MW425.53 g/mol
LogP5.20
Rot. Bonds7

About (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one

(4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40639936) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40639936
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name(4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H27N3O2/c1-2-32-23-14-12-22(13-15-23)30-19-21(18-26(30)31)27-28-24-10-6-7-11-25(24)29(27)17-16-20-8-4-3-5-9-20/h3-15,21H,2,16-19H2,1H3/t21-/m1/s1
InChIKeyQFYXLLXJJHKDKX-OAQYLSRUSA-N
XLogP5.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-(4-ethoxyphenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40775584
(4R)-1-(4-ethoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7574568
(4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080385
(4R)-1-(4-ethoxyphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40775581
1-(4-ethoxyphenyl)-4-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18878739
1-(4-ethoxyphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754486
(4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717220
(4S)-1-(2-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7220273
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 17005221
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080614
4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 4754494
1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4753812

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 40639936) is (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one is CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is QFYXLLXJJHKDKX-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-2-32-23-14-12-22(13-15-23)30-19-21(18-26(30)31)27-28-24-10-6-7-11-25(24)29(27)17-16-20-8-4-3-5-9-20/h3-15,21H,2,16-19H2,1H3/t21-/m1/s1.
What are the key properties of (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 425.53 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40639936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).