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

C19H20ClN3O2 — CID 59694357

IUPAC1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1ccc(N2C(=O)N(Cc3ccnc(Cl)c3)C(C)(C)C2=O)cc1
InChIInChI=1S/C19H20ClN3O2/c1-4-13-5-7-15(8-6-13)23-17(24)19(2,3)22(18(23)25)12-14-9-10-21-16(20)11-14/h5-11H,4,12H2,1-3H3
InChIKeyWBFMKEWAFBNEIS-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.04
Rot. Bonds4

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

1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 59694357) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID59694357
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1ccc(N2C(=O)N(Cc3ccnc(Cl)c3)C(C)(C)C2=O)cc1
InChIInChI=1S/C19H20ClN3O2/c1-4-13-5-7-15(8-6-13)23-17(24)19(2,3)22(18(23)25)12-14-9-10-21-16(20)11-14/h5-11H,4,12H2,1-3H3
InChIKeyWBFMKEWAFBNEIS-UHFFFAOYSA-N
XLogP4.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.04
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-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione (CID 59694357) is 1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione is CCc1ccc(N2C(=O)N(Cc3ccnc(Cl)c3)C(C)(C)C2=O)cc1.
What is the InChIKey of 1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is WBFMKEWAFBNEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-4-13-5-7-15(8-6-13)23-17(24)19(2,3)22(18(23)25)12-14-9-10-21-16(20)11-14/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
1-[(2-chloro-4-pyridinyl)methyl]-3-(4-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 357.84 g/mol, XLogP of 4.04, 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-ethylphenyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 59694357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).