2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone

C24H23F3N4O — CID 155672294

IUPAC2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc2ncccc2c1)N1CCC(N2CNc3cccc(C(F)(F)F)c32)CC1
InChIInChI=1S/C24H23F3N4O/c25-24(26,27)19-4-1-5-21-23(19)31(15-29-21)18-8-11-30(12-9-18)22(32)14-16-6-7-20-17(13-16)3-2-10-28-20/h1-7,10,13,18,29H,8-9,11-12,14-15H2
InChIKeyUWYYPOUWPPRYGQ-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.68
Rot. Bonds3

About 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone

2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 155672294) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone
PubChem CID155672294
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc2ncccc2c1)N1CCC(N2CNc3cccc(C(F)(F)F)c32)CC1
InChIInChI=1S/C24H23F3N4O/c25-24(26,27)19-4-1-5-21-23(19)31(15-29-21)18-8-11-30(12-9-18)22(32)14-16-6-7-20-17(13-16)3-2-10-28-20/h1-7,10,13,18,29H,8-9,11-12,14-15H2
InChIKeyUWYYPOUWPPRYGQ-UHFFFAOYSA-N
XLogP4.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234309
N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide
CID 155248372
1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 154867921
1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone
CID 167832627
2-[2-[[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]amino]phenyl]acetamide
CID 175872549
1-[4-(2-nitroanilino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234146
3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 167034693
1-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidin-2-one
CID 155234103
3-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 119104615
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 155234182
1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one
CID 166246481
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 4999345

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone (CID 155672294) is 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone is O=C(Cc1ccc2ncccc2c1)N1CCC(N2CNc3cccc(C(F)(F)F)c32)CC1.
What is the InChIKey of 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UWYYPOUWPPRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c25-24(26,27)19-4-1-5-21-23(19)31(15-29-21)18-8-11-30(12-9-18)22(32)14-16-6-7-20-17(13-16)3-2-10-28-20/h1-7,10,13,18,29H,8-9,11-12,14-15H2.
What are the key properties of 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone?
2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 440.47 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155672294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).