1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

C17H24N4O2 — CID 97068187

IUPAC1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1cc(C(=O)N2CCN(C)C[C@@H]2C)ccc1N1CCNC1=O
InChIInChI=1S/C17H24N4O2/c1-12-10-14(4-5-15(12)21-7-6-18-17(21)23)16(22)20-9-8-19(3)11-13(20)2/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyPQSRLGVCHVCPFZ-ZDUSSCGKSA-N
MW316.41 g/mol
LogP1.30
Rot. Bonds2

About 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (PubChem CID 97068187) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
PubChem CID97068187
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1cc(C(=O)N2CCN(C)C[C@@H]2C)ccc1N1CCNC1=O
InChIInChI=1S/C17H24N4O2/c1-12-10-14(4-5-15(12)21-7-6-18-17(21)23)16(22)20-9-8-19(3)11-13(20)2/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyPQSRLGVCHVCPFZ-ZDUSSCGKSA-N
XLogP1.30
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
1-[2-methyl-5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97156710
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619
(4-bromo-3-methylphenyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114086848
1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 139002535
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 97206305
3-methyl-N-[4-(methylcarbamoyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 60566894
(4-chloro-3-methylsulfonylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877222
3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 71937894
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (CID 97068187) is 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is Cc1cc(C(=O)N2CCN(C)C[C@@H]2C)ccc1N1CCNC1=O.
What is the InChIKey of 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The InChIKey is PQSRLGVCHVCPFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-10-14(4-5-15(12)21-7-6-18-17(21)23)16(22)20-9-8-19(3)11-13(20)2/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,23)/t13-/m0/s1.
What are the key properties of 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 97068187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).