5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one

C23H32N4O — CID 169420644

IUPAC5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(C)c(-c2nccn2CC2CCC(=O)N2)cc1CN1CCC(C)CC1
InChIInChI=1S/C23H32N4O/c1-16-6-9-26(10-7-16)14-19-13-21(18(3)12-17(19)2)23-24-8-11-27(23)15-20-4-5-22(28)25-20/h8,11-13,16,20H,4-7,9-10,14-15H2,1-3H3,(H,25,28)
InChIKeyASVLSDKCSDIOSR-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.68
Rot. Bonds5

About 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one

5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 169420644) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID169420644
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(C)c(-c2nccn2CC2CCC(=O)N2)cc1CN1CCC(C)CC1
InChIInChI=1S/C23H32N4O/c1-16-6-9-26(10-7-16)14-19-13-21(18(3)12-17(19)2)23-24-8-11-27(23)15-20-4-5-22(28)25-20/h8,11-13,16,20H,4-7,9-10,14-15H2,1-3H3,(H,25,28)
InChIKeyASVLSDKCSDIOSR-UHFFFAOYSA-N
XLogP3.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169419039
1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine
CID 154821707
(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67158038
5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166620278
5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169421141
5-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169413262
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-[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-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166613907

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (CID 169420644) is 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is Cc1cc(C)c(-c2nccn2CC2CCC(=O)N2)cc1CN1CCC(C)CC1.
What is the InChIKey of 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is ASVLSDKCSDIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-16-6-9-26(10-7-16)14-19-13-21(18(3)12-17(19)2)23-24-8-11-27(23)15-20-4-5-22(28)25-20/h8,11-13,16,20H,4-7,9-10,14-15H2,1-3H3,(H,25,28).
What are the key properties of 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 380.54 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 169420644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).