5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one

C18H16ClN5O — CID 166613907

IUPAC5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2ccnc2-c2cnc(-c3ccc(Cl)cc3)nc2)N1
InChIInChI=1S/C18H16ClN5O/c19-14-3-1-12(2-4-14)17-21-9-13(10-22-17)18-20-7-8-24(18)11-15-5-6-16(25)23-15/h1-4,7-10,15H,5-6,11H2,(H,23,25)
InChIKeyPINYOTCNNPXJKW-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.94
Rot. Bonds4

About 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one

5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 166613907) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID166613907
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2ccnc2-c2cnc(-c3ccc(Cl)cc3)nc2)N1
InChIInChI=1S/C18H16ClN5O/c19-14-3-1-12(2-4-14)17-21-9-13(10-22-17)18-20-7-8-24(18)11-15-5-6-16(25)23-15/h1-4,7-10,15H,5-6,11H2,(H,23,25)
InChIKeyPINYOTCNNPXJKW-UHFFFAOYSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169421141
5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166614652
5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
methyl 3-[1-[(5-oxopyrrolidin-2-yl)methyl]imidazol-2-yl]benzoate
CID 169412849
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-(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-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
3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130162707
1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 146041584

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one (CID 166613907) is 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one is O=C1CCC(Cn2ccnc2-c2cnc(-c3ccc(Cl)cc3)nc2)N1.
What is the InChIKey of 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is PINYOTCNNPXJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c19-14-3-1-12(2-4-14)17-21-9-13(10-22-17)18-20-7-8-24(18)11-15-5-6-16(25)23-15/h1-4,7-10,15H,5-6,11H2,(H,23,25).
What are the key properties of 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 353.81 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166613907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).