2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C21H20ClF3N4O — CID 1453375

IUPAC2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H20ClF3N4O/c22-15-6-5-14(21(23,24)25)11-18(15)26-19(30)12-29-9-7-13(8-10-29)20-27-16-3-1-2-4-17(16)28-20/h1-6,11,13H,7-10,12H2,(H,26,30)(H,27,28)
InChIKeyGZRZIFFWIIPTLV-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.05
Rot. Bonds4

About 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 1453375) has the molecular formula C21H20ClF3N4O and a molecular weight of 436.87 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID1453375
Molecular FormulaC21H20ClF3N4O
Molecular Weight436.87 g/mol
Exact Mass436.13
IUPAC Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H20ClF3N4O/c22-15-6-5-14(21(23,24)25)11-18(15)26-19(30)12-29-9-7-13(8-10-29)20-27-16-3-1-2-4-17(16)28-20/h1-6,11,13H,7-10,12H2,(H,26,30)(H,27,28)
InChIKeyGZRZIFFWIIPTLV-UHFFFAOYSA-N
XLogP5.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1436952
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclopentylacetamide
CID 16810435
2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731793
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3223449
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1436961
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclohexylacetamide
CID 16810436
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1429947
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43815822
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195277
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 1453375) is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GZRZIFFWIIPTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O/c22-15-6-5-14(21(23,24)25)11-18(15)26-19(30)12-29-9-7-13(8-10-29)20-27-16-3-1-2-4-17(16)28-20/h1-6,11,13H,7-10,12H2,(H,26,30)(H,27,28).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 436.87 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1453375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).