2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C23H24F3N5O3 — CID 42114646

IUPAC2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H24F3N5O3/c24-23(25,26)34-17-7-5-16(6-8-17)27-21(32)15-30-11-13-31(14-12-30)22(33)10-9-20-28-18-3-1-2-4-19(18)29-20/h1-8H,9-15H2,(H,27,32)(H,28,29)
InChIKeyAYXHZVDCTMNIDR-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.18
Rot. Bonds7

About 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 42114646) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID42114646
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H24F3N5O3/c24-23(25,26)34-17-7-5-16(6-8-17)27-21(32)15-30-11-13-31(14-12-30)22(33)10-9-20-28-18-3-1-2-4-19(18)29-20/h1-8H,9-15H2,(H,27,32)(H,28,29)
InChIKeyAYXHZVDCTMNIDR-UHFFFAOYSA-N
XLogP3.18
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119833580
2-[4-(quinoline-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27852434
3-(1H-benzimidazol-2-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one
CID 55849763
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
3-(1H-benzimidazol-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 17468527
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 43017485
2-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9215439
2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 25341486
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51578372

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 42114646) is 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is AYXHZVDCTMNIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c24-23(25,26)34-17-7-5-16(6-8-17)27-21(32)15-30-11-13-31(14-12-30)22(33)10-9-20-28-18-3-1-2-4-19(18)29-20/h1-8H,9-15H2,(H,27,32)(H,28,29).
What are the key properties of 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 475.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 42114646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).