(4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one

C21H21N3O — CID 28956083

IUPAC(4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc(-c3ccccc3)c(CCc3ccccc3)[nH]2)CN1
InChIInChI=1S/C21H21N3O/c25-19-13-17(14-22-19)21-23-18(12-11-15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyJBFPOBZNWRBSGB-KRWDZBQOSA-N
MW331.42 g/mol
LogP3.47
Rot. Bonds5

About (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one

(4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 28956083) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID28956083
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc(-c3ccccc3)c(CCc3ccccc3)[nH]2)CN1
InChIInChI=1S/C21H21N3O/c25-19-13-17(14-22-19)21-23-18(12-11-15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyJBFPOBZNWRBSGB-KRWDZBQOSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 28956083) is (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one is O=C1C[C@H](c2nc(-c3ccccc3)c(CCc3ccccc3)[nH]2)CN1.
What is the InChIKey of (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is JBFPOBZNWRBSGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N3O/c25-19-13-17(14-22-19)21-23-18(12-11-15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,25)(H,23,24)/t17-/m0/s1.
What are the key properties of (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
(4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 28956083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).