(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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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).