4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one

C18H23N3O2 — CID 45202527

IUPAC4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCOc1ccccc1-c1cnc(C2CC(=O)N(CC(C)C)C2)[nH]1
InChIInChI=1S/C18H23N3O2/c1-12(2)10-21-11-13(8-17(21)22)18-19-9-15(20-18)14-6-4-5-7-16(14)23-3/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,19,20)
InChIKeyXJSGPCQZMUKNIM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.06
Rot. Bonds5

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

4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 45202527) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID45202527
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCOc1ccccc1-c1cnc(C2CC(=O)N(CC(C)C)C2)[nH]1
InChIInChI=1S/C18H23N3O2/c1-12(2)10-21-11-13(8-17(21)22)18-19-9-15(20-18)14-6-4-5-7-16(14)23-3/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,19,20)
InChIKeyXJSGPCQZMUKNIM-UHFFFAOYSA-N
XLogP3.06
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 45202527) is 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one is COc1ccccc1-c1cnc(C2CC(=O)N(CC(C)C)C2)[nH]1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is XJSGPCQZMUKNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)10-21-11-13(8-17(21)22)18-19-9-15(20-18)14-6-4-5-7-16(14)23-3/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,19,20).
What are the key properties of 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 45202527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).