(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one

C22H23N3O2 — CID 30882284

IUPAC(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1C[C@@H](c2ncc(-c3ccccc3C)[nH]2)CC1=O
InChIInChI=1S/C22H23N3O2/c1-15-7-3-5-9-18(15)19-12-23-22(24-19)17-11-21(26)25(14-17)13-16-8-4-6-10-20(16)27-2/h3-10,12,17H,11,13-14H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyGUVFOEBHOAVROF-KRWDZBQOSA-N
MW361.45 g/mol
LogP3.91
Rot. Bonds5

About (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one

(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 30882284) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID30882284
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1C[C@@H](c2ncc(-c3ccccc3C)[nH]2)CC1=O
InChIInChI=1S/C22H23N3O2/c1-15-7-3-5-9-18(15)19-12-23-22(24-19)17-11-21(26)25(14-17)13-16-8-4-6-10-20(16)27-2/h3-10,12,17H,11,13-14H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyGUVFOEBHOAVROF-KRWDZBQOSA-N
XLogP3.91
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 31192333
1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45222470
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 45202527
(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 29085956
(3S)-1-[(2-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39337419
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45240771
(4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 31161681
(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95719078
1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 110876328
4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 30882284) is (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is COc1ccccc1CN1C[C@@H](c2ncc(-c3ccccc3C)[nH]2)CC1=O.
What is the InChIKey of (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is GUVFOEBHOAVROF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-7-3-5-9-18(15)19-12-23-22(24-19)17-11-21(26)25(14-17)13-16-8-4-6-10-20(16)27-2/h3-10,12,17H,11,13-14H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 30882284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).