1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one

C25H32N4O2 — CID 20851364

IUPAC1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)CN3CCN(Cc4ccccc4C)C3=O)CC2C)c1
InChIInChI=1S/C25H32N4O2/c1-19-7-6-10-23(15-19)29-14-13-26(16-21(29)3)24(30)18-28-12-11-27(25(28)31)17-22-9-5-4-8-20(22)2/h4-10,15,21H,11-14,16-18H2,1-3H3
InChIKeyBUFWYTRLAKLIRG-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one

1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 20851364) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
PubChem CID20851364
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)CN3CCN(Cc4ccccc4C)C3=O)CC2C)c1
InChIInChI=1S/C25H32N4O2/c1-19-7-6-10-23(15-19)29-14-13-26(16-21(29)3)24(30)18-28-12-11-27(25(28)31)17-22-9-5-4-8-20(22)2/h4-10,15,21H,11-14,16-18H2,1-3H3
InChIKeyBUFWYTRLAKLIRG-UHFFFAOYSA-N
XLogP3.28
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[(2-methylphenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidin-2-one
CID 122174898
1-ethyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92752267
3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 46295476
(1R,2R,6S,7R)-4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98228796
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-prop-2-enylquinoxaline-2,3-dione
CID 50802548
2-(3-methoxyphenyl)-1-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481312
2-(3-methoxyphenyl)-1-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481309
3-methyl-5-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazino[4,5-b]indol-4-one
CID 95059152
3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22423403
3-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5H-pyridazino[4,5-b]indol-4-one
CID 136914669
(1R,2R,6S,7R)-4-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98177234

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one (CID 20851364) is 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one is Cc1cccc(N2CCN(C(=O)CN3CCN(Cc4ccccc4C)C3=O)CC2C)c1.
What is the InChIKey of 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is BUFWYTRLAKLIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19-7-6-10-23(15-19)29-14-13-26(16-21(29)3)24(30)18-28-12-11-27(25(28)31)17-22-9-5-4-8-20(22)2/h4-10,15,21H,11-14,16-18H2,1-3H3.
What are the key properties of 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one has a molecular weight of 420.56 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 20851364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).