1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

C21H21N3O4 — CID 72881128

IUPAC1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCc1ccccc1C1(O)CCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C21H21N3O4/c1-14-4-2-3-5-17(14)21(28)10-11-23(13-21)19(26)15-6-8-16(9-7-15)24-12-18(25)22-20(24)27/h2-9,28H,10-13H2,1H3,(H,22,25,27)
InChIKeyXBIYEHCBUYDMSX-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.78
Rot. Bonds3

About 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 72881128) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID72881128
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCc1ccccc1C1(O)CCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C21H21N3O4/c1-14-4-2-3-5-17(14)21(28)10-11-23(13-21)19(26)15-6-8-16(9-7-15)24-12-18(25)22-20(24)27/h2-9,28H,10-13H2,1H3,(H,22,25,27)
InChIKeyXBIYEHCBUYDMSX-UHFFFAOYSA-N
XLogP1.78
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72908605
1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione
CID 56895730
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 135108285
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56890894
(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 97119960
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 95557519
2-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 56753711
1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one
CID 172657464
1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 97141855
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97114823
[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95224033

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 72881128) is 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is Cc1ccccc1C1(O)CCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1.
What is the InChIKey of 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is XBIYEHCBUYDMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-4-2-3-5-17(14)21(28)10-11-23(13-21)19(26)15-6-8-16(9-7-15)24-12-18(25)22-20(24)27/h2-9,28H,10-13H2,1H3,(H,22,25,27).
What are the key properties of 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72881128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).