(4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one

C26H24ClN3O3 — CID 40812275

IUPAC(4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C26H24ClN3O3/c1-32-24-9-5-4-8-23(24)30-17-18(16-25(30)31)26-28-21-6-2-3-7-22(21)29(26)14-15-33-20-12-10-19(27)11-13-20/h2-13,18H,14-17H2,1H3/t18-/m1/s1
InChIKeyUYXOOIOUTISTMM-GOSISDBHSA-N
MW461.95 g/mol
LogP5.30
Rot. Bonds7

About (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one

(4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 40812275) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID40812275
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name(4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C26H24ClN3O3/c1-32-24-9-5-4-8-23(24)30-17-18(16-25(30)31)26-28-21-6-2-3-7-22(21)29(26)14-15-33-20-12-10-19(27)11-13-20/h2-13,18H,14-17H2,1H3/t18-/m1/s1
InChIKeyUYXOOIOUTISTMM-GOSISDBHSA-N
XLogP5.30
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 4038407
(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812273
(4S)-1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35177303
(4S)-4-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 39115919
1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17027757
(4R)-1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387082
(4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813615
(4R)-1-(2-methoxyphenyl)-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40836155
(4S)-1-(2-methoxyphenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812287
1-(2,5-dimethoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754289
(4S)-1-(5-chloro-2-methoxyphenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40698871
(4S)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40841120

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 40812275) is (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is UYXOOIOUTISTMM-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-32-24-9-5-4-8-23(24)30-17-18(16-25(30)31)26-28-21-6-2-3-7-22(21)29(26)14-15-33-20-12-10-19(27)11-13-20/h2-13,18H,14-17H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
(4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 461.95 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 40812275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).