5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one

C18H18N4O2S — CID 166624170

IUPAC5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2ncc(-c3nccn3CC3CCC(=O)N3)s2)c1
InChIInChI=1S/C18H18N4O2S/c1-24-14-4-2-3-12(9-14)18-20-10-15(25-18)17-19-7-8-22(17)11-13-5-6-16(23)21-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,21,23)
InChIKeyCAEVIXGYSXKAKE-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.96
Rot. Bonds5

About 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one

5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 166624170) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID166624170
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2ncc(-c3nccn3CC3CCC(=O)N3)s2)c1
InChIInChI=1S/C18H18N4O2S/c1-24-14-4-2-3-12(9-14)18-20-10-15(25-18)17-19-7-8-22(17)11-13-5-6-16(23)21-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,21,23)
InChIKeyCAEVIXGYSXKAKE-UHFFFAOYSA-N
XLogP2.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]-N-methylcyclohexane-1-carboxamide
CID 146041903
methyl 3-[1-[(5-oxopyrrolidin-2-yl)methyl]imidazol-2-yl]benzoate
CID 169412849
5-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169413262
5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166620278
5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166619249
5-[[2-(2-methoxynaphthalen-1-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166618664
5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166613907
5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169419039
5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169421141
5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
1-(3-methoxyphenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493015

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one (CID 166624170) is 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one is COc1cccc(-c2ncc(-c3nccn3CC3CCC(=O)N3)s2)c1.
What is the InChIKey of 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is CAEVIXGYSXKAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-14-4-2-3-12(9-14)18-20-10-15(25-18)17-19-7-8-22(17)11-13-5-6-16(23)21-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,21,23).
What are the key properties of 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 354.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166624170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).