5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione

C24H29N5O4 — CID 134494545

IUPAC5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCC1(c2ccc(C(=O)N3CCN(c4ncc(C)cc4C)CC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C24H29N5O4/c1-16-14-17(2)20(25-15-16)28-9-11-29(12-10-28)21(30)18-4-6-19(7-5-18)24(8-13-33-3)22(31)26-23(32)27-24/h4-7,14-15H,8-13H2,1-3H3,(H2,26,27,31,32)
InChIKeyBLMZQOSJVAOFAL-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.73
Rot. Bonds6

About 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione

5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 134494545) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID134494545
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCC1(c2ccc(C(=O)N3CCN(c4ncc(C)cc4C)CC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C24H29N5O4/c1-16-14-17(2)20(25-15-16)28-9-11-29(12-10-28)21(30)18-4-6-19(7-5-18)24(8-13-33-3)22(31)26-23(32)27-24/h4-7,14-15H,8-13H2,1-3H3,(H2,26,27,31,32)
InChIKeyBLMZQOSJVAOFAL-UHFFFAOYSA-N
XLogP1.73
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494339
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494331
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 134494483
5-(methoxymethyl)-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494521
(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495156
(3S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione;(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 158249149
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione
CID 134494613
5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494382
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494383
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134494465
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 134494960
(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494582

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione (CID 134494545) is 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione is COCCC1(c2ccc(C(=O)N3CCN(c4ncc(C)cc4C)CC3)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is BLMZQOSJVAOFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-16-14-17(2)20(25-15-16)28-9-11-29(12-10-28)21(30)18-4-6-19(7-5-18)24(8-13-33-3)22(31)26-23(32)27-24/h4-7,14-15H,8-13H2,1-3H3,(H2,26,27,31,32).
What are the key properties of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione?
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 451.53 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 134494545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).