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

C22H24BrN3O — CID 59322982

IUPAC3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CCCc3c(Br)cccc32)CC1
InChIInChI=1S/C22H24BrN3O/c23-18-7-3-6-17-16(18)5-4-10-20(17)25-13-11-15(12-14-25)26-21-9-2-1-8-19(21)24-22(26)27/h1-3,6-9,15,20H,4-5,10-14H2,(H,24,27)
InChIKeyGLQWTCAVKCBGTJ-UHFFFAOYSA-N
MW426.36 g/mol
LogP4.81
Rot. Bonds2

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

3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 59322982) has the molecular formula C22H24BrN3O and a molecular weight of 426.36 g/mol. Its IUPAC name is 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID59322982
Molecular FormulaC22H24BrN3O
Molecular Weight426.36 g/mol
Exact Mass425.11
IUPAC Name3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CCCc3c(Br)cccc32)CC1
InChIInChI=1S/C22H24BrN3O/c23-18-7-3-6-17-16(18)5-4-10-20(17)25-13-11-15(12-14-25)26-21-9-2-1-8-19(21)24-22(26)27/h1-3,6-9,15,20H,4-5,10-14H2,(H,24,27)
InChIKeyGLQWTCAVKCBGTJ-UHFFFAOYSA-N
XLogP4.81
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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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-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322989
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-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
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
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 55431748
3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54325846

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 59322982) is 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C2CCCc3c(Br)cccc32)CC1.
What is the InChIKey of 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is GLQWTCAVKCBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O/c23-18-7-3-6-17-16(18)5-4-10-20(17)25-13-11-15(12-14-25)26-21-9-2-1-8-19(21)24-22(26)27/h1-3,6-9,15,20H,4-5,10-14H2,(H,24,27).
What are the key properties of 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 426.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 59322982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).