3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C23H24F3N3O — CID 59322989

IUPAC3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CCCc3c2cccc3C(F)(F)F)CC1
InChIInChI=1S/C23H24F3N3O/c24-23(25,26)18-7-3-6-17-16(18)5-4-10-20(17)28-13-11-15(12-14-28)29-21-9-2-1-8-19(21)27-22(29)30/h1-3,6-9,15,20H,4-5,10-14H2,(H,27,30)
InChIKeyRNIVKPWTSBSKHC-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.06
Rot. Bonds2

About 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 59322989) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID59322989
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CCCc3c2cccc3C(F)(F)F)CC1
InChIInChI=1S/C23H24F3N3O/c24-23(25,26)18-7-3-6-17-16(18)5-4-10-20(17)28-13-11-15(12-14-28)29-21-9-2-1-8-19(21)27-22(29)30/h1-3,6-9,15,20H,4-5,10-14H2,(H,27,30)
InChIKeyRNIVKPWTSBSKHC-UHFFFAOYSA-N
XLogP5.06
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322996
3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322982
3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322920
3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 10309214
3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322916
3-[1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757731
3-[1-(8-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 68703641
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 173295713
3-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757507
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 59322989) is 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C2CCCc3c2cccc3C(F)(F)F)CC1.
What is the InChIKey of 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is RNIVKPWTSBSKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c24-23(25,26)18-7-3-6-17-16(18)5-4-10-20(17)28-13-11-15(12-14-28)29-21-9-2-1-8-19(21)27-22(29)30/h1-3,6-9,15,20H,4-5,10-14H2,(H,27,30).
What are the key properties of 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 415.46 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 59322989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).