3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione

C23H24N4O2 — CID 166233895

IUPAC3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione
SMILESCc1ncn(Cc2cccc(N3C(=O)CN(C(C)c4ccccc4)C3=O)c2)c1C
InChIInChI=1S/C23H24N4O2/c1-16-17(2)25(15-24-16)13-19-8-7-11-21(12-19)27-22(28)14-26(23(27)29)18(3)20-9-5-4-6-10-20/h4-12,15,18H,13-14H2,1-3H3
InChIKeyJRLVNJZWTCIYOG-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.08
Rot. Bonds5

About 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione

3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione (PubChem CID 166233895) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione
PubChem CID166233895
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione
SMILESCc1ncn(Cc2cccc(N3C(=O)CN(C(C)c4ccccc4)C3=O)c2)c1C
InChIInChI=1S/C23H24N4O2/c1-16-17(2)25(15-24-16)13-19-8-7-11-21(12-19)27-22(28)14-26(23(27)29)18(3)20-9-5-4-6-10-20/h4-12,15,18H,13-14H2,1-3H3
InChIKeyJRLVNJZWTCIYOG-UHFFFAOYSA-N
XLogP4.08
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione (CID 166233895) is 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione is Cc1ncn(Cc2cccc(N3C(=O)CN(C(C)c4ccccc4)C3=O)c2)c1C.
What is the InChIKey of 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is JRLVNJZWTCIYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-17(2)25(15-24-16)13-19-8-7-11-21(12-19)27-22(28)14-26(23(27)29)18(3)20-9-5-4-6-10-20/h4-12,15,18H,13-14H2,1-3H3.
What are the key properties of 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione?
3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 388.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 166233895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).