2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide

C27H24F4N4O2 — CID 1462304

IUPAC2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCC(n2c(C(F)(F)F)nc3cc(F)ccc32)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H24F4N4O2/c28-18-10-11-23-22(16-18)33-26(27(29,30)31)35(23)19-12-14-34(15-13-19)17-25(36)32-21-8-4-5-9-24(21)37-20-6-2-1-3-7-20/h1-11,16,19H,12-15,17H2,(H,32,36)
InChIKeyYOPKOKMSNLFQMZ-UHFFFAOYSA-N
MW512.51 g/mol
LogP6.26
Rot. Bonds6

About 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide

2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide (PubChem CID 1462304) has the molecular formula C27H24F4N4O2 and a molecular weight of 512.51 g/mol. Its IUPAC name is 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
PubChem CID1462304
Molecular FormulaC27H24F4N4O2
Molecular Weight512.51 g/mol
Exact Mass512.18
IUPAC Name2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCC(n2c(C(F)(F)F)nc3cc(F)ccc32)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H24F4N4O2/c28-18-10-11-23-22(16-18)33-26(27(29,30)31)35(23)19-12-14-34(15-13-19)17-25(36)32-21-8-4-5-9-24(21)37-20-6-2-1-3-7-20/h1-11,16,19H,12-15,17H2,(H,32,36)
InChIKeyYOPKOKMSNLFQMZ-UHFFFAOYSA-N
XLogP6.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.51
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
CID 43814453
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 43814474
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 30704409
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 110877824
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 27197068
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 122278540
1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2399286
2-(2-methylmorpholin-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 46677615
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide (CID 1462304) is 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide is O=C(CN1CCC(n2c(C(F)(F)F)nc3cc(F)ccc32)CC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is YOPKOKMSNLFQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N4O2/c28-18-10-11-23-22(16-18)33-26(27(29,30)31)35(23)19-12-14-34(15-13-19)17-25(36)32-21-8-4-5-9-24(21)37-20-6-2-1-3-7-20/h1-11,16,19H,12-15,17H2,(H,32,36).
What are the key properties of 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 512.51 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 1462304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).