2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide

C26H25FN4O3 — CID 60558376

IUPAC2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2cccnc2)C1=O
InChIInChI=1S/C26H25FN4O3/c1-26(21-9-11-22(27)12-10-21)24(33)31(25(34)29-26)18-23(32)30(17-20-8-5-14-28-16-20)15-13-19-6-3-2-4-7-19/h2-12,14,16H,13,15,17-18H2,1H3,(H,29,34)
InChIKeyOAVUCWZNKQATQQ-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.26
Rot. Bonds8

About 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 60558376) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID60558376
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2cccnc2)C1=O
InChIInChI=1S/C26H25FN4O3/c1-26(21-9-11-22(27)12-10-21)24(33)31(25(34)29-26)18-23(32)30(17-20-8-5-14-28-16-20)15-13-19-6-3-2-4-7-19/h2-12,14,16H,13,15,17-18H2,1H3,(H,29,34)
InChIKeyOAVUCWZNKQATQQ-UHFFFAOYSA-N
XLogP3.26
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 46533735
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55899647
2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 31334048
3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-methylamino]propanoic acid
CID 119362736
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 55889863
N-ethyl-N-(4-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 78561438
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46653313
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 55442527

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide (CID 60558376) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2cccnc2)C1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is OAVUCWZNKQATQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-26(21-9-11-22(27)12-10-21)24(33)31(25(34)29-26)18-23(32)30(17-20-8-5-14-28-16-20)15-13-19-6-3-2-4-7-19/h2-12,14,16H,13,15,17-18H2,1H3,(H,29,34).
What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 460.51 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 60558376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).