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

C23H25N3O2 — CID 30936507

IUPAC(4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nc([C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)[nH]c2C)cc1
InChIInChI=1S/C23H25N3O2/c1-15-4-6-17(7-5-15)13-26-14-19(12-21(26)27)23-24-16(2)22(25-23)18-8-10-20(28-3)11-9-18/h4-11,19H,12-14H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyZQQZFKYEIIQVFF-IBGZPJMESA-N
MW375.47 g/mol
LogP4.22
Rot. Bonds5

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

(4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 30936507) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID30936507
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nc([C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)[nH]c2C)cc1
InChIInChI=1S/C23H25N3O2/c1-15-4-6-17(7-5-15)13-26-14-19(12-21(26)27)23-24-16(2)22(25-23)18-8-10-20(28-3)11-9-18/h4-11,19H,12-14H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyZQQZFKYEIIQVFF-IBGZPJMESA-N
XLogP4.22
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 30936507) is (4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is COc1ccc(-c2nc([C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)[nH]c2C)cc1.
What is the InChIKey of (4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is ZQQZFKYEIIQVFF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-4-6-17(7-5-15)13-26-14-19(12-21(26)27)23-24-16(2)22(25-23)18-8-10-20(28-3)11-9-18/h4-11,19H,12-14H2,1-3H3,(H,24,25)/t19-/m0/s1.
What are the key properties of (4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
(4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 30936507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).