(3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one

C22H23N3O3 — CID 95121393

IUPAC(3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(OC)c(-c2c(-c3ccccc3)ncn2[C@H]2CCN(C)C2=O)c1
InChIInChI=1S/C22H23N3O3/c1-24-12-11-18(22(24)26)25-14-23-20(15-7-5-4-6-8-15)21(25)17-13-16(27-2)9-10-19(17)28-3/h4-10,13-14,18H,11-12H2,1-3H3/t18-/m0/s1
InChIKeyTWWWBMMYBAADJE-SFHVURJKSA-N
MW377.44 g/mol
LogP3.64
Rot. Bonds5

About (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one

(3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 95121393) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one
PubChem CID95121393
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(OC)c(-c2c(-c3ccccc3)ncn2[C@H]2CCN(C)C2=O)c1
InChIInChI=1S/C22H23N3O3/c1-24-12-11-18(22(24)26)25-14-23-20(15-7-5-4-6-8-15)21(25)17-13-16(27-2)9-10-19(17)28-3/h4-10,13-14,18H,11-12H2,1-3H3/t18-/m0/s1
InChIKeyTWWWBMMYBAADJE-SFHVURJKSA-N
XLogP3.64
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331
6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
CID 14303860
1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 40792057
5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole
CID 95217578
2-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione
CID 9285308
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
CID 95225445
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 71476627
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
2-[4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 29364471
methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate
CID 50972369
2-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 29364468
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one (CID 95121393) is (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one is COc1ccc(OC)c(-c2c(-c3ccccc3)ncn2[C@H]2CCN(C)C2=O)c1.
What is the InChIKey of (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is TWWWBMMYBAADJE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24-12-11-18(22(24)26)25-14-23-20(15-7-5-4-6-8-15)21(25)17-13-16(27-2)9-10-19(17)28-3/h4-10,13-14,18H,11-12H2,1-3H3/t18-/m0/s1.
What are the key properties of (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one?
(3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 95121393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).