N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C17H13F3N4O3 — CID 2962133

IUPACN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccccc1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)16(22-13(25)12-6-2-1-3-7-12)14(26)24(15(27)23-16)10-11-5-4-8-21-9-11/h1-9H,10H2,(H,22,25)(H,23,27)
InChIKeyJRIHAEJGHMXVSD-UHFFFAOYSA-N
MW378.31 g/mol
LogP1.82
Rot. Bonds4

About N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 2962133) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID2962133
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC NameN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccccc1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)16(22-13(25)12-6-2-1-3-7-12)14(26)24(15(27)23-16)10-11-5-4-8-21-9-11/h1-9H,10H2,(H,22,25)(H,23,27)
InChIKeyJRIHAEJGHMXVSD-UHFFFAOYSA-N
XLogP1.82
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
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 N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 2962133) is N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is O=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccccc1.
What is the InChIKey of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is JRIHAEJGHMXVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c18-17(19,20)16(22-13(25)12-6-2-1-3-7-12)14(26)24(15(27)23-16)10-11-5-4-8-21-9-11/h1-9H,10H2,(H,22,25)(H,23,27).
What are the key properties of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 378.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 2962133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).