3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione

C20H17ClN4O2 — CID 78814451

IUPAC3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCn1c(Cl)cnc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C20H17ClN4O2/c1-24-16(21)12-22-17(24)13-25-18(26)20(23-19(25)27,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,23,27)
InChIKeyKDJHGTBRWTUXIN-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.07
Rot. Bonds4

About 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione

3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 78814451) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID78814451
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCn1c(Cl)cnc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C20H17ClN4O2/c1-24-16(21)12-22-17(24)13-25-18(26)20(23-19(25)27,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,23,27)
InChIKeyKDJHGTBRWTUXIN-UHFFFAOYSA-N
XLogP3.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.07
H-Bond Donors ≤ 51
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-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 78814451) is 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione is Cn1c(Cl)cnc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is KDJHGTBRWTUXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-24-16(21)12-22-17(24)13-25-18(26)20(23-19(25)27,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 380.84 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 78814451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).