N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C18H17ClN4O3 — CID 3925192

IUPACN-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cccnc3Cl)C2=O)cc1
InChIInChI=1S/C18H17ClN4O3/c1-11-5-7-12(8-6-11)18(2)16(25)23(17(26)22-18)10-14(24)21-13-4-3-9-20-15(13)19/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyOKNXUHKNLBVFOF-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.45
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 3925192) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID3925192
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cccnc3Cl)C2=O)cc1
InChIInChI=1S/C18H17ClN4O3/c1-11-5-7-12(8-6-11)18(2)16(25)23(17(26)22-18)10-14(24)21-13-4-3-9-20-15(13)19/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyOKNXUHKNLBVFOF-UHFFFAOYSA-N
XLogP2.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.45
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-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 3925192) is N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cccnc3Cl)C2=O)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OKNXUHKNLBVFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-11-5-7-12(8-6-11)18(2)16(25)23(17(26)22-18)10-14(24)21-13-4-3-9-20-15(13)19/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 372.81 g/mol, XLogP of 2.45, 4 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-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3925192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).