5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

C24H24FN3O4 — CID 134495102

IUPAC5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C4(CF)NC(=O)NC4=O)cc3)CC2)cc1
InChIInChI=1S/C24H24FN3O4/c1-15-2-4-16(5-3-15)20(29)17-10-12-28(13-11-17)21(30)18-6-8-19(9-7-18)24(14-25)22(31)26-23(32)27-24/h2-9,17H,10-14H2,1H3,(H2,26,27,31,32)
InChIKeyNWEGJFFPLJBEBF-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.73
Rot. Bonds5

About 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 134495102) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID134495102
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C4(CF)NC(=O)NC4=O)cc3)CC2)cc1
InChIInChI=1S/C24H24FN3O4/c1-15-2-4-16(5-3-15)20(29)17-10-12-28(13-11-17)21(30)18-6-8-19(9-7-18)24(14-25)22(31)26-23(32)27-24/h2-9,17H,10-14H2,1H3,(H2,26,27,31,32)
InChIKeyNWEGJFFPLJBEBF-UHFFFAOYSA-N
XLogP2.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495188
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione
CID 134494613
(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494258
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494383
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
5-methyl-5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494989
(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495156
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 67381029
(5S)-5-ethyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7128778
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 134495102) is 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C4(CF)NC(=O)NC4=O)cc3)CC2)cc1.
What is the InChIKey of 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is NWEGJFFPLJBEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-15-2-4-16(5-3-15)20(29)17-10-12-28(13-11-17)21(30)18-6-8-19(9-7-18)24(14-25)22(31)26-23(32)27-24/h2-9,17H,10-14H2,1H3,(H2,26,27,31,32).
What are the key properties of 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 437.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 134495102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).