3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione

C23H21ClN4O2 — CID 37166029

IUPAC3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCN(Cc1ccc(Cl)nc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C23H21ClN4O2/c1-27(15-17-12-13-20(24)25-14-17)16-28-21(29)23(26-22(28)30,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,26,30)
InChIKeyCSNUBQHKHFGRTK-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.62
Rot. Bonds6

About 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione

3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 37166029) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID37166029
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCN(Cc1ccc(Cl)nc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C23H21ClN4O2/c1-27(15-17-12-13-20(24)25-14-17)16-28-21(29)23(26-22(28)30,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,26,30)
InChIKeyCSNUBQHKHFGRTK-UHFFFAOYSA-N
XLogP3.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 37166029) is 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione is CN(Cc1ccc(Cl)nc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is CSNUBQHKHFGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-27(15-17-12-13-20(24)25-14-17)16-28-21(29)23(26-22(28)30,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,26,30).
What are the key properties of 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 420.90 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 37166029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).