3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide

C20H22N4O3 — CID 119440495

IUPAC3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1ccccc1NC(=O)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C20H22N4O3/c1-2-21-11-16-7-3-4-9-17(16)23-19(26)15-8-5-6-14(10-15)13-24-18(25)12-22-20(24)27/h3-10,21H,2,11-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyVDPRSDLNMCUBOL-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.10
Rot. Bonds7

About 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide

3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide (PubChem CID 119440495) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide
PubChem CID119440495
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1ccccc1NC(=O)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C20H22N4O3/c1-2-21-11-16-7-3-4-9-17(16)23-19(26)15-8-5-6-14(10-15)13-24-18(25)12-22-20(24)27/h3-10,21H,2,11-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyVDPRSDLNMCUBOL-UHFFFAOYSA-N
XLogP2.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.10
H-Bond Donors ≤ 53
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-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide?
The IUPAC name of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide (CID 119440495) is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide?
The canonical SMILES for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide is CCNCc1ccccc1NC(=O)c1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide?
The InChIKey is VDPRSDLNMCUBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-21-11-16-7-3-4-9-17(16)23-19(26)15-8-5-6-14(10-15)13-24-18(25)12-22-20(24)27/h3-10,21H,2,11-13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide?
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 119440495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).