1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

C22H25N3O2 — CID 139007333

IUPAC1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-15-5-6-16(2)19(14-15)20-4-3-12-25(20)21(26)17-7-9-18(10-8-17)24-13-11-23-22(24)27/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,23,27)
InChIKeyQUFXEHJHSGZGAD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.81
Rot. Bonds3

About 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 139007333) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID139007333
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-15-5-6-16(2)19(14-15)20-4-3-12-25(20)21(26)17-7-9-18(10-8-17)24-13-11-23-22(24)27/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,23,27)
InChIKeyQUFXEHJHSGZGAD-UHFFFAOYSA-N
XLogP3.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 51299278
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110246981
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 71917445
(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 97206305
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-[2-(2-methylpropyl)pyrazol-3-yl]methanone
CID 138058613
1-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625368
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 136515149
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 110246974
(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952989
N-cyclooctyl-N-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 75368967
1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 139002535

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 139007333) is 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is Cc1ccc(C)c(C2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)c1.
What is the InChIKey of 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is QUFXEHJHSGZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-5-6-16(2)19(14-15)20-4-3-12-25(20)21(26)17-7-9-18(10-8-17)24-13-11-23-22(24)27/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,23,27).
What are the key properties of 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 139007333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).