4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one

C22H24N4O3 — CID 130214972

IUPAC4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
SMILESCOc1ccccc1C(=O)CC1N=C(N2CCN(c3ccccc3)CC2)NC1=O
InChIInChI=1S/C22H24N4O3/c1-29-20-10-6-5-9-17(20)19(27)15-18-21(28)24-22(23-18)26-13-11-25(12-14-26)16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3,(H,23,24,28)
InChIKeyJGINVTKWFACVPB-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.94
Rot. Bonds5

About 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one

4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one (PubChem CID 130214972) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
PubChem CID130214972
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
SMILESCOc1ccccc1C(=O)CC1N=C(N2CCN(c3ccccc3)CC2)NC1=O
InChIInChI=1S/C22H24N4O3/c1-29-20-10-6-5-9-17(20)19(27)15-18-21(28)24-22(23-18)26-13-11-25(12-14-26)16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3,(H,23,24,28)
InChIKeyJGINVTKWFACVPB-UHFFFAOYSA-N
XLogP1.94
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-bromophenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
CID 130215015
ethyl (4S,5R)-4-(2-methoxyphenyl)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 27863764
N-(2-fluoro-4-methylphenyl)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 43840977
ethyl (4R,5R)-4-(2-methoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41387262
ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 17324446
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
ethyl (4R,5S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 29110360
ethyl (4S,5S)-4-(2-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 27748500
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
ethyl (4R,5S)-4-(2-methoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41455884
ethyl (4R,5R)-4-(2-methoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41455883
2-(3-hydroxypropylsulfanyl)-1-(2-methoxyphenyl)ethanone
CID 66125952

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one (CID 130214972) is 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one is COc1ccccc1C(=O)CC1N=C(N2CCN(c3ccccc3)CC2)NC1=O.
What is the InChIKey of 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is JGINVTKWFACVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-20-10-6-5-9-17(20)19(27)15-18-21(28)24-22(23-18)26-13-11-25(12-14-26)16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3,(H,23,24,28).
What are the key properties of 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one?
4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 392.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)-2-oxoethyl]-2-(4-phenylpiperazin-1-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 130214972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).