(4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

C27H27N3O3 — CID 40836151

IUPAC(4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O
InChIInChI=1S/C27H27N3O3/c1-19-8-7-9-21(16-19)33-15-14-29-23-11-4-3-10-22(23)28-27(29)20-17-26(31)30(18-20)24-12-5-6-13-25(24)32-2/h3-13,16,20H,14-15,17-18H2,1-2H3/t20-/m1/s1
InChIKeyHFKQHNVHMSPXFX-HXUWFJFHSA-N
MW441.53 g/mol
LogP4.95
Rot. Bonds7

About (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

(4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40836151) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40836151
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name(4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O
InChIInChI=1S/C27H27N3O3/c1-19-8-7-9-21(16-19)33-15-14-29-23-11-4-3-10-22(23)28-27(29)20-17-26(31)30(18-20)24-12-5-6-13-25(24)32-2/h3-13,16,20H,14-15,17-18H2,1-2H3/t20-/m1/s1
InChIKeyHFKQHNVHMSPXFX-HXUWFJFHSA-N
XLogP4.95
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812273
(4S)-1-(2,3-dimethylphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814582
(4R)-1-(2-methoxyphenyl)-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40836155
(4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40812275
(4S)-1-(2-methoxyphenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812287
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
(4S)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40841120
4-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 17003707
1-(2,5-dimethoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754289
(4S)-4-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 39115919
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 35179986

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 40836151) is (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O.
What is the InChIKey of (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is HFKQHNVHMSPXFX-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19-8-7-9-21(16-19)33-15-14-29-23-11-4-3-10-22(23)28-27(29)20-17-26(31)30(18-20)24-12-5-6-13-25(24)32-2/h3-13,16,20H,14-15,17-18H2,1-2H3/t20-/m1/s1.
What are the key properties of (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 441.53 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyphenyl)-4-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40836151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).