3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione

C27H35FN4O2 — CID 90654844

IUPAC3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H35FN4O2/c1-27(2)25(33)31(21-22-11-5-3-6-12-22)26(34)32(27)16-10-4-9-15-29-17-19-30(20-18-29)24-14-8-7-13-23(24)28/h3,5-8,11-14H,4,9-10,15-21H2,1-2H3
InChIKeyXIGANRPOOMJWDJ-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.36
Rot. Bonds9

About 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione

3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 90654844) has the molecular formula C27H35FN4O2 and a molecular weight of 466.60 g/mol. Its IUPAC name is 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID90654844
Molecular FormulaC27H35FN4O2
Molecular Weight466.60 g/mol
Exact Mass466.27
IUPAC Name3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H35FN4O2/c1-27(2)25(33)31(21-22-11-5-3-6-12-22)26(34)32(27)16-10-4-9-15-29-17-19-30(20-18-29)24-14-8-7-13-23(24)28/h3,5-8,11-14H,4,9-10,15-21H2,1-2H3
InChIKeyXIGANRPOOMJWDJ-UHFFFAOYSA-N
XLogP4.36
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
CID 90654842
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide
CID 42389017
5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 4882223
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387
azane;2-(4-benzylpiperazin-1-yl)-6-fluorobenzoic acid
CID 174394059
7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10715828

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione (CID 90654844) is 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(Cc2ccccc2)C(=O)N1CCCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is XIGANRPOOMJWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O2/c1-27(2)25(33)31(21-22-11-5-3-6-12-22)26(34)32(27)16-10-4-9-15-29-17-19-30(20-18-29)24-14-8-7-13-23(24)28/h3,5-8,11-14H,4,9-10,15-21H2,1-2H3.
What are the key properties of 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione?
3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 466.60 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 90654844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).