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

C27H27N3O — CID 7080385

IUPAC(4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H27N3O/c1-2-20-12-14-23(15-13-20)30-19-22(18-26(30)31)27-28-24-10-6-7-11-25(24)29(27)17-16-21-8-4-3-5-9-21/h3-15,22H,2,16-19H2,1H3/t22-/m1/s1
InChIKeyNUXHWOZRICJENT-JOCHJYFZSA-N
MW409.53 g/mol
LogP5.36
Rot. Bonds6

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

(4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 7080385) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is (4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID7080385
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name(4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H27N3O/c1-2-20-12-14-23(15-13-20)30-19-22(18-26(30)31)27-28-24-10-6-7-11-25(24)29(27)17-16-21-8-4-3-5-9-21/h3-15,22H,2,16-19H2,1H3/t22-/m1/s1
InChIKeyNUXHWOZRICJENT-JOCHJYFZSA-N
XLogP5.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 7080382
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 6941280
(4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40639936
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080614
1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4753812
(4S)-1-(4-ethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35180053
4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 17004855
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
1-(4-ethoxyphenyl)-4-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18878739
1-(4-bromophenyl)-4-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004720
1-(4-ethylphenyl)-4-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753786
(4R)-1-(2-methylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7011056

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 7080385) is (4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one is CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is NUXHWOZRICJENT-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H27N3O/c1-2-20-12-14-23(15-13-20)30-19-22(18-26(30)31)27-28-24-10-6-7-11-25(24)29(27)17-16-21-8-4-3-5-9-21/h3-15,22H,2,16-19H2,1H3/t22-/m1/s1.
What are the key properties of (4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 409.53 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 7080385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).