N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C23H20F3N5O3 — CID 175802227

IUPACN-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1nn(C)cc1[C@]1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C23H20F3N5O3/c1-13-18(11-31(2)30-13)22(20(33)28-21(34)29-22)12-27-19(32)17-6-4-3-5-16(17)14-7-9-15(10-8-14)23(24,25)26/h3-11H,12H2,1-2H3,(H,27,32)(H2,28,29,33,34)/t22-/m0/s1
InChIKeySXAGIDHRQWTWRM-QFIPXVFZSA-N
MW471.44 g/mol
LogP2.88
Rot. Bonds5

About N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 175802227) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID175802227
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC NameN-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1nn(C)cc1[C@]1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C23H20F3N5O3/c1-13-18(11-31(2)30-13)22(20(33)28-21(34)29-22)12-27-19(32)17-6-4-3-5-16(17)14-7-9-15(10-8-14)23(24,25)26/h3-11H,12H2,1-2H3,(H,27,32)(H2,28,29,33,34)/t22-/m0/s1
InChIKeySXAGIDHRQWTWRM-QFIPXVFZSA-N
XLogP2.88
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 175802227) is N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1nn(C)cc1[C@]1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O.
What is the InChIKey of N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SXAGIDHRQWTWRM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-13-18(11-31(2)30-13)22(20(33)28-21(34)29-22)12-27-19(32)17-6-4-3-5-16(17)14-7-9-15(10-8-14)23(24,25)26/h3-11H,12H2,1-2H3,(H,27,32)(H2,28,29,33,34)/t22-/m0/s1.
What are the key properties of N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 471.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-(1,3-dimethylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 175802227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).