5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one

C24H23N3O — CID 150510597

IUPAC5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one
SMILESO=C1N=c2ccc(CCN3CCC(c4cccc5ccccc45)CC3)cc2=N1
InChIInChI=1S/C24H23N3O/c28-24-25-22-9-8-17(16-23(22)26-24)10-13-27-14-11-19(12-15-27)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16,19H,10-15H2
InChIKeyHZSYBIXTECQAJJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.63
Rot. Bonds4

About 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one

5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one (PubChem CID 150510597) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one
PubChem CID150510597
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one
SMILESO=C1N=c2ccc(CCN3CCC(c4cccc5ccccc45)CC3)cc2=N1
InChIInChI=1S/C24H23N3O/c28-24-25-22-9-8-17(16-23(22)26-24)10-13-27-14-11-19(12-15-27)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16,19H,10-15H2
InChIKeyHZSYBIXTECQAJJ-UHFFFAOYSA-N
XLogP3.63
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride
CID 22464414
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione
CID 102065934
3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 59939413
5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 138374863
[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]methanol;hydrochloride
CID 70203501
(8R)-8-naphthalen-1-yl-6,7,8,9-tetrahydroquinolizin-2-one
CID 134960311
4-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-2H-phthalazin-1-one;hydrochloride
CID 11582098
5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one
CID 10439243
5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 14819328
5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
CID 67753647
3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole
CID 67753310
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one?
The IUPAC name of 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one (CID 150510597) is 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one.
What is the SMILES notation for 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one?
The canonical SMILES for 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one is O=C1N=c2ccc(CCN3CCC(c4cccc5ccccc45)CC3)cc2=N1.
What is the InChIKey of 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one?
The InChIKey is HZSYBIXTECQAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-24-25-22-9-8-17(16-23(22)26-24)10-13-27-14-11-19(12-15-27)21-7-3-5-18-4-1-2-6-20(18)21/h1-9,16,19H,10-15H2.
What are the key properties of 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one?
5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one is sourced from PubChem (CID 150510597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).