(4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

C27H27N3O3 — CID 40814660

IUPAC(4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C27H27N3O3/c1-32-24-13-7-8-14-25(24)33-16-15-30-23-12-6-5-11-22(23)28-27(30)21-17-26(31)29(19-21)18-20-9-3-2-4-10-20/h2-14,21H,15-19H2,1H3/t21-/m1/s1
InChIKeyNDEKTFNMAUXRSD-OAQYLSRUSA-N
MW441.53 g/mol
LogP4.64
Rot. Bonds8

About (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

(4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40814660) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40814660
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name(4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C27H27N3O3/c1-32-24-13-7-8-14-25(24)33-16-15-30-23-12-6-5-11-22(23)28-27(30)21-17-26(31)29(19-21)18-20-9-3-2-4-10-20/h2-14,21H,15-19H2,1H3/t21-/m1/s1
InChIKeyNDEKTFNMAUXRSD-OAQYLSRUSA-N
XLogP4.64
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-benzyl-4-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40836280
1-benzyl-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005487
1-[(4-fluorophenyl)methyl]-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005590
(4R)-1-benzyl-4-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813447
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
1-[(4-methoxyphenyl)methyl]-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242808
4-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002299
(4R)-1-benzyl-4-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813436
4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242855
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813551
1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 3160034
(4S)-1-benzyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40812843

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 40814660) is (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is COc1ccccc1OCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is NDEKTFNMAUXRSD-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-32-24-13-7-8-14-25(24)33-16-15-30-23-12-6-5-11-22(23)28-27(30)21-17-26(31)29(19-21)18-20-9-3-2-4-10-20/h2-14,21H,15-19H2,1H3/t21-/m1/s1.
What are the key properties of (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 441.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40814660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).