5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one

C28H26F3N3O2 — CID 155248363

IUPAC5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc(-c2ccc3[nH]c(=O)n(C4CCN(C(=O)Cc5ccc(C(F)(F)F)cc5)CC4)c3c2)cc1
InChIInChI=1S/C28H26F3N3O2/c1-18-2-6-20(7-3-18)21-8-11-24-25(17-21)34(27(36)32-24)23-12-14-33(15-13-23)26(35)16-19-4-9-22(10-5-19)28(29,30)31/h2-11,17,23H,12-16H2,1H3,(H,32,36)
InChIKeySBFZPASEVZBYGZ-UHFFFAOYSA-N
MW493.53 g/mol
LogP5.73
Rot. Bonds4

About 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one

5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 155248363) has the molecular formula C28H26F3N3O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID155248363
Molecular FormulaC28H26F3N3O2
Molecular Weight493.53 g/mol
Exact Mass493.20
IUPAC Name5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc(-c2ccc3[nH]c(=O)n(C4CCN(C(=O)Cc5ccc(C(F)(F)F)cc5)CC4)c3c2)cc1
InChIInChI=1S/C28H26F3N3O2/c1-18-2-6-20(7-3-18)21-8-11-24-25(17-21)34(27(36)32-24)23-12-14-33(15-13-23)26(35)16-19-4-9-22(10-5-19)28(29,30)31/h2-11,17,23H,12-16H2,1H3,(H,32,36)
InChIKeySBFZPASEVZBYGZ-UHFFFAOYSA-N
XLogP5.73
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 55462661
2-oxo-1-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-3H-benzimidazole-4-carbonitrile
CID 155248448
1-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidin-2-one
CID 155234103
3-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 155233968
7-(trifluoromethyl)-1-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinazolin-2-one
CID 155248502
6-chloro-3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 69245981
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 155234182
5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 15839538
3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 58863156
formic acid;3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 171678507
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119646509

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 155248363) is 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc(-c2ccc3[nH]c(=O)n(C4CCN(C(=O)Cc5ccc(C(F)(F)F)cc5)CC4)c3c2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SBFZPASEVZBYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O2/c1-18-2-6-20(7-3-18)21-8-11-24-25(17-21)34(27(36)32-24)23-12-14-33(15-13-23)26(35)16-19-4-9-22(10-5-19)28(29,30)31/h2-11,17,23H,12-16H2,1H3,(H,32,36).
What are the key properties of 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 493.53 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 155248363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).