2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide

C23H24F3N5O2 — CID 124939525

IUPAC2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc3nc(C)[nH]c3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N5O2/c1-14-27-19-8-7-18(11-20(19)28-14)29-22(33)13-30-9-10-31(15(2)32)21(12-30)16-3-5-17(6-4-16)23(24,25)26/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,27,28)(H,29,33)/t21-/m1/s1
InChIKeyAADOPAKCCAGHLE-OAQYLSRUSA-N
MW459.47 g/mol
LogP3.73
Rot. Bonds4

About 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide

2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 124939525) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID124939525
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC Name2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc3nc(C)[nH]c3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N5O2/c1-14-27-19-8-7-18(11-20(19)28-14)29-22(33)13-30-9-10-31(15(2)32)21(12-30)16-3-5-17(6-4-16)23(24,25)26/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,27,28)(H,29,33)/t21-/m1/s1
InChIKeyAADOPAKCCAGHLE-OAQYLSRUSA-N
XLogP3.73
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 119920132
2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 124960017
1-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 95828293
1-[4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 110258666
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 55731133
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
CID 56673048
2-[(6R)-4-benzyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 129456330
N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 110122381
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 124939525) is 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc3nc(C)[nH]c3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is AADOPAKCCAGHLE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-14-27-19-8-7-18(11-20(19)28-14)29-22(33)13-30-9-10-31(15(2)32)21(12-30)16-3-5-17(6-4-16)23(24,25)26/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,27,28)(H,29,33)/t21-/m1/s1.
What are the key properties of 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 459.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 124939525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).