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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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).