(5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

C20H26N4O3 — CID 97243668

IUPAC(5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2cnn(C)c2)NC(=O)N(CCCOc2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C20H26N4O3/c1-5-20(16-12-21-23(4)13-16)18(25)24(19(26)22-20)7-6-8-27-17-10-14(2)9-15(3)11-17/h9-13H,5-8H2,1-4H3,(H,22,26)/t20-/m1/s1
InChIKeyFHCGDNHUSGNFHP-HXUWFJFHSA-N
MW370.45 g/mol
LogP2.66
Rot. Bonds7

About (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

(5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 97243668) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID97243668
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2cnn(C)c2)NC(=O)N(CCCOc2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C20H26N4O3/c1-5-20(16-12-21-23(4)13-16)18(25)24(19(26)22-20)7-6-8-27-17-10-14(2)9-15(3)11-17/h9-13H,5-8H2,1-4H3,(H,22,26)/t20-/m1/s1
InChIKeyFHCGDNHUSGNFHP-HXUWFJFHSA-N
XLogP2.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
CID 18272138
3-[3-(3,5-dimethylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 46824048
6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 127661265
(5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione
CID 99707844
5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 75401896
3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 154737485
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 46580993
3-[3-[3-(3-benzyl-8-methylquinolin-4-yl)phenoxy]propyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethylimidazolidine-2,4-dione
CID 59152048

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (CID 97243668) is (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is CC[C@]1(c2cnn(C)c2)NC(=O)N(CCCOc2cc(C)cc(C)c2)C1=O.
What is the InChIKey of (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is FHCGDNHUSGNFHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-20(16-12-21-23(4)13-16)18(25)24(19(26)22-20)7-6-8-27-17-10-14(2)9-15(3)11-17/h9-13H,5-8H2,1-4H3,(H,22,26)/t20-/m1/s1.
What are the key properties of (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
(5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 97243668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).