(4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one

C26H23Cl2N3O3 — CID 27407541

IUPAC(4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2Cl)CN1c1ccc(Cl)cc1
InChIInChI=1S/C26H23Cl2N3O3/c27-18-9-11-19(12-10-18)30-14-17(13-25(30)33)26-29-22-6-2-3-7-23(22)31(26)15-20(32)16-34-24-8-4-1-5-21(24)28/h1-12,17,20,32H,13-16H2/t17-,20-/m1/s1
InChIKeyRULIEVQNBUAMIH-YLJYHZDGSA-N
MW496.39 g/mol
LogP5.30
Rot. Bonds7

About (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one

(4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one (PubChem CID 27407541) has the molecular formula C26H23Cl2N3O3 and a molecular weight of 496.39 g/mol. Its IUPAC name is (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
PubChem CID27407541
Molecular FormulaC26H23Cl2N3O3
Molecular Weight496.39 g/mol
Exact Mass495.11
IUPAC Name(4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2Cl)CN1c1ccc(Cl)cc1
InChIInChI=1S/C26H23Cl2N3O3/c27-18-9-11-19(12-10-18)30-14-17(13-25(30)33)26-29-22-6-2-3-7-23(22)31(26)15-20(32)16-34-24-8-4-1-5-21(24)28/h1-12,17,20,32H,13-16H2/t17-,20-/m1/s1
InChIKeyRULIEVQNBUAMIH-YLJYHZDGSA-N
XLogP5.30
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 27407551
(4S)-4-[1-[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 27407555
(4R)-4-[1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 92902168
(4R)-1-(4-chlorophenyl)-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408134
(4S)-4-[1-[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 27407370
(4S)-1-(4-chlorophenyl)-4-[1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408136
(4R)-1-tert-butyl-4-[1-[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 96571177
4-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 43841597
4-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 50751730
(4R)-1-(4-fluorophenyl)-4-[1-[(2S)-2-hydroxy-3-phenoxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27407865
(4S)-4-[1-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 92902139
(4R)-4-[1-[(2S)-2-hydroxy-3-phenoxypropyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 27407824

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one (CID 27407541) is (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one is O=C1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2Cl)CN1c1ccc(Cl)cc1.
What is the InChIKey of (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one?
The InChIKey is RULIEVQNBUAMIH-YLJYHZDGSA-N. The full InChI is InChI=1S/C26H23Cl2N3O3/c27-18-9-11-19(12-10-18)30-14-17(13-25(30)33)26-29-22-6-2-3-7-23(22)31(26)15-20(32)16-34-24-8-4-1-5-21(24)28/h1-12,17,20,32H,13-16H2/t17-,20-/m1/s1.
What are the key properties of (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one?
(4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one has a molecular weight of 496.39 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 27407541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).