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

C14H15N3O2 — CID 45216091

IUPAC4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cnc(C3CNC(=O)C3)[nH]2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-11-4-2-9(3-5-11)12-8-16-14(17-12)10-6-13(18)15-7-10/h2-5,8,10H,6-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyBQTXECLIGGNUQT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.69
Rot. Bonds3

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

4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 45216091) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID45216091
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cnc(C3CNC(=O)C3)[nH]2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-11-4-2-9(3-5-11)12-8-16-14(17-12)10-6-13(18)15-7-10/h2-5,8,10H,6-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyBQTXECLIGGNUQT-UHFFFAOYSA-N
XLogP1.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid
CID 160800300
(4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 30920800
4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one
CID 155915976
4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45204048
(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31045164
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
(4R)-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 29086396
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31073934

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 45216091) is 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is COc1ccc(-c2cnc(C3CNC(=O)C3)[nH]2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is BQTXECLIGGNUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-11-4-2-9(3-5-11)12-8-16-14(17-12)10-6-13(18)15-7-10/h2-5,8,10H,6-7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 45216091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).