1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione

C21H23N3O3 — CID 87022827

IUPAC1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cccc(-n2c(C)cc(C(=O)CN3C(=O)CN(C4CC4)C3=O)c2C)c1
InChIInChI=1S/C21H23N3O3/c1-13-5-4-6-17(9-13)24-14(2)10-18(15(24)3)19(25)11-23-20(26)12-22(21(23)27)16-7-8-16/h4-6,9-10,16H,7-8,11-12H2,1-3H3
InChIKeyOBSSCQGFWNYFTN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.01
Rot. Bonds5

About 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione

1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 87022827) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID87022827
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cccc(-n2c(C)cc(C(=O)CN3C(=O)CN(C4CC4)C3=O)c2C)c1
InChIInChI=1S/C21H23N3O3/c1-13-5-4-6-17(9-13)24-14(2)10-18(15(24)3)19(25)11-23-20(26)12-22(21(23)27)16-7-8-16/h4-6,9-10,16H,7-8,11-12H2,1-3H3
InChIKeyOBSSCQGFWNYFTN-UHFFFAOYSA-N
XLogP3.01
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 9465783
1-cyclopropyl-3-phenacylimidazolidine-2,4-dione
CID 87022456
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
2,5-dimethyl-N-[2-(methylamino)ethyl]-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119502830
N-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 94018334
ethyl 2-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanylacetate
CID 52644497
methyl 1-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxylate
CID 60523168
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
5-benzyl-3-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 4883549
1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355581
N-[(2S)-1-aminopropan-2-yl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 120507388
N-(2-amino-2-methylpropyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119628984

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 87022827) is 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)CN(C4CC4)C3=O)c2C)c1.
What is the InChIKey of 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is OBSSCQGFWNYFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-5-4-6-17(9-13)24-14(2)10-18(15(24)3)19(25)11-23-20(26)12-22(21(23)27)16-7-8-16/h4-6,9-10,16H,7-8,11-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione?
1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 365.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 87022827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).