N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide

C26H24F3N5O2 — CID 155248372

IUPACN-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cccc(C(F)(F)F)c2n1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C26H24F3N5O2/c1-16(35)31-25-32-22-6-2-5-20(26(27,28)29)24(22)34(25)19-9-12-33(13-10-19)23(36)15-17-7-8-21-18(14-17)4-3-11-30-21/h2-8,11,14,19H,9-10,12-13,15H2,1H3,(H,31,32,35)
InChIKeyFZUQLDDNHLSWIH-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.97
Rot. Bonds4

About N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide

N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide (PubChem CID 155248372) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide
PubChem CID155248372
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC NameN-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cccc(C(F)(F)F)c2n1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C26H24F3N5O2/c1-16(35)31-25-32-22-6-2-5-20(26(27,28)29)24(22)34(25)19-9-12-33(13-10-19)23(36)15-17-7-8-21-18(14-17)4-3-11-30-21/h2-8,11,14,19H,9-10,12-13,15H2,1H3,(H,31,32,35)
InChIKeyFZUQLDDNHLSWIH-UHFFFAOYSA-N
XLogP4.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone
CID 155672294
1-[4-[2-amino-6-(trifluoromethyl)anilino]piperidin-1-yl]-2-quinolin-6-ylethanone
CID 155234309
1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 154867921
3-[1-[2-(5-chloroquinolin-6-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 167034693
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
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-quinolin-6-ylacetamide
CID 52913841
3-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 155233968
3-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 119104615
1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone
CID 167832627
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 4999345
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide?
The IUPAC name of N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide (CID 155248372) is N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2cccc(C(F)(F)F)c2n1C1CCN(C(=O)Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide?
The InChIKey is FZUQLDDNHLSWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-16(35)31-25-32-22-6-2-5-20(26(27,28)29)24(22)34(25)19-9-12-33(13-10-19)23(36)15-17-7-8-21-18(14-17)4-3-11-30-21/h2-8,11,14,19H,9-10,12-13,15H2,1H3,(H,31,32,35).
What are the key properties of N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide?
N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide has a molecular weight of 495.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-quinolin-6-ylacetyl)piperidin-4-yl]-7-(trifluoromethyl)benzimidazol-2-yl]acetamide is sourced from PubChem (CID 155248372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).