5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

C26H33N5O4 — CID 134494382

IUPAC5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOCC1CN(c2ncc(C)cc2C)CCN1C(=O)c1ccc(C2(C(C)C)NC(=O)NC2=O)cc1
InChIInChI=1S/C26H33N5O4/c1-16(2)26(24(33)28-25(34)29-26)20-8-6-19(7-9-20)23(32)31-11-10-30(14-21(31)15-35-5)22-18(4)12-17(3)13-27-22/h6-9,12-13,16,21H,10-11,14-15H2,1-5H3,(H2,28,29,33,34)
InChIKeyZNPNTBVBKRYWBB-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.37
Rot. Bonds6

About 5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 134494382) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID134494382
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOCC1CN(c2ncc(C)cc2C)CCN1C(=O)c1ccc(C2(C(C)C)NC(=O)NC2=O)cc1
InChIInChI=1S/C26H33N5O4/c1-16(2)26(24(33)28-25(34)29-26)20-8-6-19(7-9-20)23(32)31-11-10-30(14-21(31)15-35-5)22-18(4)12-17(3)13-27-22/h6-9,12-13,16,21H,10-11,14-15H2,1-5H3,(H2,28,29,33,34)
InChIKeyZNPNTBVBKRYWBB-UHFFFAOYSA-N
XLogP2.37
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 134494382) is 5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is COCC1CN(c2ncc(C)cc2C)CCN1C(=O)c1ccc(C2(C(C)C)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is ZNPNTBVBKRYWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-16(2)26(24(33)28-25(34)29-26)20-8-6-19(7-9-20)23(32)31-11-10-30(14-21(31)15-35-5)22-18(4)12-17(3)13-27-22/h6-9,12-13,16,21H,10-11,14-15H2,1-5H3,(H2,28,29,33,34).
What are the key properties of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 479.58 g/mol, XLogP of 2.37, 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)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 134494382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).