4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one

C18H23N3O — CID 45218761

IUPAC4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1ccc(-c2nc(C3CC(=O)N(C(C)C)C3)[nH]c2C)cc1
InChIInChI=1S/C18H23N3O/c1-11(2)21-10-15(9-16(21)22)18-19-13(4)17(20-18)14-7-5-12(3)6-8-14/h5-8,11,15H,9-10H2,1-4H3,(H,19,20)
InChIKeyWKJTUCVLPACPRO-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.42
Rot. Bonds3

About 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one

4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 45218761) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID45218761
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1ccc(-c2nc(C3CC(=O)N(C(C)C)C3)[nH]c2C)cc1
InChIInChI=1S/C18H23N3O/c1-11(2)21-10-15(9-16(21)22)18-19-13(4)17(20-18)14-7-5-12(3)6-8-14/h5-8,11,15H,9-10H2,1-4H3,(H,19,20)
InChIKeyWKJTUCVLPACPRO-UHFFFAOYSA-N
XLogP3.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one (CID 45218761) is 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one is Cc1ccc(-c2nc(C3CC(=O)N(C(C)C)C3)[nH]c2C)cc1.
What is the InChIKey of 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is WKJTUCVLPACPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11(2)21-10-15(9-16(21)22)18-19-13(4)17(20-18)14-7-5-12(3)6-8-14/h5-8,11,15H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 45218761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).