N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide

C20H20N4O3 — CID 121159552

IUPACN-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C20H20N4O3/c25-17-11-21-19(26)24(17)16-12-23(13-16)20(27)22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,21,26)(H,22,27)
InChIKeyDMTCKNXGZDIHKM-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.72
Rot. Bonds4

About N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide

N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide (PubChem CID 121159552) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
PubChem CID121159552
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC NameN-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C20H20N4O3/c25-17-11-21-19(26)24(17)16-12-23(13-16)20(27)22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,21,26)(H,22,27)
InChIKeyDMTCKNXGZDIHKM-UHFFFAOYSA-N
XLogP1.72
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide (CID 121159552) is N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
The InChIKey is DMTCKNXGZDIHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-17-11-21-19(26)24(17)16-12-23(13-16)20(27)22-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,21,26)(H,22,27).
What are the key properties of N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121159552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).