1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one

C22H22N4O2 — CID 70769002

IUPAC1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2=O)c1
InChIInChI=1S/C22H22N4O2/c1-16-11-17(2)13-20(12-16)26-10-9-24(14-21(26)27)22(28)18-3-5-19(6-4-18)25-8-7-23-15-25/h3-8,11-13,15H,9-10,14H2,1-2H3
InChIKeyHFMCLGMCSOBCFS-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.98
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one

1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one (PubChem CID 70769002) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one
PubChem CID70769002
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2=O)c1
InChIInChI=1S/C22H22N4O2/c1-16-11-17(2)13-20(12-16)26-10-9-24(14-21(26)27)22(28)18-3-5-19(6-4-18)25-8-7-23-15-25/h3-8,11-13,15H,9-10,14H2,1-2H3
InChIKeyHFMCLGMCSOBCFS-UHFFFAOYSA-N
XLogP2.98
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 11516054
1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
CID 70756809
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one
CID 172658297
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
(4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 71874012
(2-imidazol-1-yl-4-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51085847
[4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 22628274
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
CID 72696904

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one (CID 70769002) is 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one is Cc1cc(C)cc(N2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one?
The InChIKey is HFMCLGMCSOBCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-11-17(2)13-20(12-16)26-10-9-24(14-21(26)27)22(28)18-3-5-19(6-4-18)25-8-7-23-15-25/h3-8,11-13,15H,9-10,14H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one?
1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one has a molecular weight of 374.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one is sourced from PubChem (CID 70769002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).