1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione

C18H26N4O2 — CID 60608265

IUPAC1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)CN(CN2CCN(C)CC2c2ccccc2)C1=O
InChIInChI=1S/C18H26N4O2/c1-14(2)22-17(23)12-21(18(22)24)13-20-10-9-19(3)11-16(20)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyNSMMBOISBQPHLX-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.61
Rot. Bonds4

About 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione

1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione (PubChem CID 60608265) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione
PubChem CID60608265
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)CN(CN2CCN(C)CC2c2ccccc2)C1=O
InChIInChI=1S/C18H26N4O2/c1-14(2)22-17(23)12-21(18(22)24)13-20-10-9-19(3)11-16(20)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyNSMMBOISBQPHLX-UHFFFAOYSA-N
XLogP1.61
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione (CID 60608265) is 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)CN(CN2CCN(C)CC2c2ccccc2)C1=O.
What is the InChIKey of 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is NSMMBOISBQPHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)22-17(23)12-21(18(22)24)13-20-10-9-19(3)11-16(20)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3.
What are the key properties of 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione?
1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 60608265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).