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

C25H22ClN3O2 — CID 40813543

IUPAC(4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc(Cl)c1
InChIInChI=1S/C25H22ClN3O2/c26-19-7-6-8-20(16-19)29-17-18(15-24(29)30)25-27-22-11-4-5-12-23(22)28(25)13-14-31-21-9-2-1-3-10-21/h1-12,16,18H,13-15,17H2/t18-/m1/s1
InChIKeyQRCKJOWCNOUQOK-GOSISDBHSA-N
MW431.92 g/mol
LogP5.29
Rot. Bonds6

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

(4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40813543) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is (4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40813543
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name(4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc(Cl)c1
InChIInChI=1S/C25H22ClN3O2/c26-19-7-6-8-20(16-19)29-17-18(15-24(29)30)25-27-22-11-4-5-12-23(22)28(25)13-14-31-21-9-2-1-3-10-21/h1-12,16,18H,13-15,17H2/t18-/m1/s1
InChIKeyQRCKJOWCNOUQOK-GOSISDBHSA-N
XLogP5.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813563
(4R)-4-[1-[2-[4-[(2S)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 40852381
(4S)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 40812640
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813546
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813551
4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002555
(4R)-1-(4-chlorophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813996
(4R)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 40725103
4-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 17003941
1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242591
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 35179890
1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 2958943

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 40813543) is (4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc(Cl)c1.
What is the InChIKey of (4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is QRCKJOWCNOUQOK-GOSISDBHSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c26-19-7-6-8-20(16-19)29-17-18(15-24(29)30)25-27-22-11-4-5-12-23(22)28(25)13-14-31-21-9-2-1-3-10-21/h1-12,16,18H,13-15,17H2/t18-/m1/s1.
What are the key properties of (4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 431.92 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40813543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).