5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione

C23H30N2O3 — CID 138510290

IUPAC5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)C2C3=C4CCC(=C2CC3)C4)C(=O)C1(C)CC1CCCC1
InChIInChI=1S/C23H30N2O3/c1-23(12-14-5-3-4-6-14)21(27)25(22(28)24(23)2)13-19(26)20-17-9-10-18(20)16-8-7-15(17)11-16/h14,20H,3-13H2,1-2H3
InChIKeyQIECJPBLICOFFL-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.99
Rot. Bonds5

About 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione

5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione (PubChem CID 138510290) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione
PubChem CID138510290
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)C2C3=C4CCC(=C2CC3)C4)C(=O)C1(C)CC1CCCC1
InChIInChI=1S/C23H30N2O3/c1-23(12-14-5-3-4-6-14)21(27)25(22(28)24(23)2)13-19(26)20-17-9-10-18(20)16-8-7-15(17)11-16/h14,20H,3-13H2,1-2H3
InChIKeyQIECJPBLICOFFL-UHFFFAOYSA-N
XLogP3.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 126729237
5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione
CID 138510093
3-(2-cyclohexyl-2-oxoethyl)-1,5-dimethyl-5-(2-methylcyclopentyl)imidazolidine-2,4-dione
CID 90371569
3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione
CID 138510073
5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90359173
5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 138510294
1-[2-(6-azoniaspiro[5.9]pentadecan-5-yl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 123986277
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
(2R,3R)-3-(cyclopentylmethyl)-N-methyl-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
CID 59910648
1-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119397711
3-[2-(azetidin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 127271628
4-[(3R)-3-(cyclopentylmethyl)-2-oxopiperidin-1-yl]-N-hydroxy-N-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
CID 171318047

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione (CID 138510290) is 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione is CN1C(=O)N(CC(=O)C2C3=C4CCC(=C2CC3)C4)C(=O)C1(C)CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is QIECJPBLICOFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-23(12-14-5-3-4-6-14)21(27)25(22(28)24(23)2)13-19(26)20-17-9-10-18(20)16-8-7-15(17)11-16/h14,20H,3-13H2,1-2H3.
What are the key properties of 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione?
5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 382.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 138510290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).