(4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

C25H21ClFN3O2 — CID 40871186

IUPAC(4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1
InChIInChI=1S/C25H21ClFN3O2/c1-32-18-10-11-19(26)23(13-18)29-15-17(12-24(29)31)25-28-21-8-4-5-9-22(21)30(25)14-16-6-2-3-7-20(16)27/h2-11,13,17H,12,14-15H2,1H3/t17-/m1/s1
InChIKeyHWYDTOBBZGHFRJ-QGZVFWFLSA-N
MW449.91 g/mol
LogP5.41
Rot. Bonds5

About (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

(4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40871186) has the molecular formula C25H21ClFN3O2 and a molecular weight of 449.91 g/mol. Its IUPAC name is (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40871186
Molecular FormulaC25H21ClFN3O2
Molecular Weight449.91 g/mol
Exact Mass449.13
IUPAC Name(4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1
InChIInChI=1S/C25H21ClFN3O2/c1-32-18-10-11-19(26)23(13-18)29-15-17(12-24(29)31)25-28-21-8-4-5-9-22(21)30(25)14-16-6-2-3-7-20(16)27/h2-11,13,17H,12,14-15H2,1H3/t17-/m1/s1
InChIKeyHWYDTOBBZGHFRJ-QGZVFWFLSA-N
XLogP5.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.91
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011264
1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754335
(4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40871118
(4S)-1-(2,4-dimethylphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7080350
(4R)-1-(5-chloro-2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387084
1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003802
1-(2,5-dimethoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754280
(4R)-1-(2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773736
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011791
(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40836176
(4R)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7011738

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 40871186) is (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1.
What is the InChIKey of (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is HWYDTOBBZGHFRJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H21ClFN3O2/c1-32-18-10-11-19(26)23(13-18)29-15-17(12-24(29)31)25-28-21-8-4-5-9-22(21)30(25)14-16-6-2-3-7-20(16)27/h2-11,13,17H,12,14-15H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 449.91 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40871186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).