3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

About 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 170836223) has the molecular formula C22H16F5N5O3 and a molecular weight of 493.39 g/mol. Its IUPAC name is 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name	3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID	170836223
Molecular Formula	C22H16F5N5O3
Molecular Weight	493.39 g/mol
Exact Mass	493.12
IUPAC Name	3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILES	Cn1nccc1[C@]1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
InChI	InChI=1S/C22H16F5N5O3/c1-32-15(8-9-29-32)21(19(34)30-20(35)31-21)10-28-18(33)13-6-7-14(23)17(24)16(13)11-2-4-12(5-3-11)22(25,26)27/h2-9H,10H2,1H3,(H,28,33)(H2,30,31,34,35)/t21-/m0/s1
InChIKey	LPQXZOJIUVOCAL-NRFANRHFSA-N
XLogP	2.85
TPSA	105.12 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.39
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 170836223) is 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cn1nccc1[C@]1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O.

What is the InChIKey of 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The InChIKey is LPQXZOJIUVOCAL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H16F5N5O3/c1-32-15(8-9-29-32)21(19(34)30-20(35)31-21)10-28-18(33)13-6-7-14(23)17(24)16(13)11-2-4-12(5-3-11)22(25,26)27/h2-9H,10H2,1H3,(H,28,33)(H2,30,31,34,35)/t21-/m0/s1.

What are the key properties of 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 493.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-difluoro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 170836223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).