[2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone

C20H24N4O2 — CID 166372629

IUPAC[2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone
SMILESC=Cc1ccc(C(=O)N2CC(C)N(C(=O)c3cnc(C)[nH]3)CC2C)cc1
InChIInChI=1S/C20H24N4O2/c1-5-16-6-8-17(9-7-16)19(25)23-11-14(3)24(12-13(23)2)20(26)18-10-21-15(4)22-18/h5-10,13-14H,1,11-12H2,2-4H3,(H,21,22)
InChIKeySWNJNRMADVAOEE-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.74
Rot. Bonds3

About [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone

[2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone (PubChem CID 166372629) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone.

Molecular Properties

Compound Name[2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone
PubChem CID166372629
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone
SMILESC=Cc1ccc(C(=O)N2CC(C)N(C(=O)c3cnc(C)[nH]3)CC2C)cc1
InChIInChI=1S/C20H24N4O2/c1-5-16-6-8-17(9-7-16)19(25)23-11-14(3)24(12-13(23)2)20(26)18-10-21-15(4)22-18/h5-10,13-14H,1,11-12H2,2-4H3,(H,21,22)
InChIKeySWNJNRMADVAOEE-UHFFFAOYSA-N
XLogP2.74
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethenylbenzoyl)-4-methylazetidin-2-one
CID 163784041
1-(2-methyl-1H-imidazol-5-yl)prop-2-en-1-one
CID 69410566
[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 119060084
[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 97238185
[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 97238184
(2-methylaziridin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 22932713
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
[3-[(2R)-2-methylaziridine-1-carbonyl]-5-[(2S)-2-methylaziridine-1-carbonyl]phenyl]-[(2R)-2-methylaziridin-1-yl]methanone
CID 98086105
[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129479978
(2-methylaziridin-1-yl)-(4-propylphenyl)methanone
CID 22282369
(3aR,6aS)-1-(2-methyl-1H-imidazole-5-carbonyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CID 138056839
(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
CID 22282326

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone?
The IUPAC name of [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone (CID 166372629) is [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone.
What is the SMILES notation for [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone?
The canonical SMILES for [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone is C=Cc1ccc(C(=O)N2CC(C)N(C(=O)c3cnc(C)[nH]3)CC2C)cc1.
What is the InChIKey of [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone?
The InChIKey is SWNJNRMADVAOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-5-16-6-8-17(9-7-16)19(25)23-11-14(3)24(12-13(23)2)20(26)18-10-21-15(4)22-18/h5-10,13-14H,1,11-12H2,2-4H3,(H,21,22).
What are the key properties of [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone?
[2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone has a molecular weight of 352.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]-(4-ethenylphenyl)methanone is sourced from PubChem (CID 166372629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).