1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

C18H17ClFN3O2 — CID 59550674

IUPAC1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(CF)cc2)C(=O)N1Cc1ccnc(Cl)c1
InChIInChI=1S/C18H17ClFN3O2/c1-18(2)16(24)23(14-5-3-12(10-20)4-6-14)17(25)22(18)11-13-7-8-21-15(19)9-13/h3-9H,10-11H2,1-2H3
InChIKeyRORSEPPYCPKHQB-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.95
Rot. Bonds4

About 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 59550674) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID59550674
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(CF)cc2)C(=O)N1Cc1ccnc(Cl)c1
InChIInChI=1S/C18H17ClFN3O2/c1-18(2)16(24)23(14-5-3-12(10-20)4-6-14)17(25)22(18)11-13-7-8-21-15(19)9-13/h3-9H,10-11H2,1-2H3
InChIKeyRORSEPPYCPKHQB-UHFFFAOYSA-N
XLogP3.95
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 59550674) is 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(CF)cc2)C(=O)N1Cc1ccnc(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is RORSEPPYCPKHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-18(2)16(24)23(14-5-3-12(10-20)4-6-14)17(25)22(18)11-13-7-8-21-15(19)9-13/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 361.80 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(fluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 59550674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).