N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C22H17ClN4O3 — CID 2101712

IUPACN-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cccnc1Cl
InChIInChI=1S/C22H17ClN4O3/c23-19-17(12-7-13-24-19)25-18(28)14-27-20(29)22(26-21(27)30,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2,(H,25,28)(H,26,30)
InChIKeyRIXLKOHAWHYWMN-UHFFFAOYSA-N
MW420.86 g/mol
LogP3.17
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 2101712) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID2101712
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cccnc1Cl
InChIInChI=1S/C22H17ClN4O3/c23-19-17(12-7-13-24-19)25-18(28)14-27-20(29)22(26-21(27)30,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2,(H,25,28)(H,26,30)
InChIKeyRIXLKOHAWHYWMN-UHFFFAOYSA-N
XLogP3.17
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 53.17
H-Bond Donors ≤ 52
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 N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 2101712) is N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is RIXLKOHAWHYWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c23-19-17(12-7-13-24-19)25-18(28)14-27-20(29)22(26-21(27)30,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2,(H,25,28)(H,26,30).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 420.86 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2101712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).