5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one

C17H22N6O — CID 169421141

IUPAC5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2ccnc2-c2cnc(N3CCCCC3)nc2)N1
InChIInChI=1S/C17H22N6O/c24-15-5-4-14(21-15)12-23-9-6-18-16(23)13-10-19-17(20-11-13)22-7-2-1-3-8-22/h6,9-11,14H,1-5,7-8,12H2,(H,21,24)
InChIKeySICBITOFGOTOFN-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.61
Rot. Bonds4

About 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one

5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 169421141) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID169421141
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2ccnc2-c2cnc(N3CCCCC3)nc2)N1
InChIInChI=1S/C17H22N6O/c24-15-5-4-14(21-15)12-23-9-6-18-16(23)13-10-19-17(20-11-13)22-7-2-1-3-8-22/h6,9-11,14H,1-5,7-8,12H2,(H,21,24)
InChIKeySICBITOFGOTOFN-UHFFFAOYSA-N
XLogP1.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166613907
5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166614652
methyl 3-[1-[(5-oxopyrrolidin-2-yl)methyl]imidazol-2-yl]benzoate
CID 169412849
5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166619249
5-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169413262
5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166624170
5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169420644
5-[[2-(2-methoxynaphthalen-1-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166618664
5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169419039
5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole
CID 70733256
1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one
CID 130517287

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one (CID 169421141) is 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one is O=C1CCC(Cn2ccnc2-c2cnc(N3CCCCC3)nc2)N1.
What is the InChIKey of 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is SICBITOFGOTOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-15-5-4-14(21-15)12-23-9-6-18-16(23)13-10-19-17(20-11-13)22-7-2-1-3-8-22/h6,9-11,14H,1-5,7-8,12H2,(H,21,24).
What are the key properties of 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 169421141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).