5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride

C23H23ClN4O — CID 22464414

IUPAC5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride
SMILESCl.O=C1N=c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2=N1
InChIInChI=1S/C23H22N4O.ClH/c28-23-24-20-9-8-17(16-21(20)25-23)10-11-26-12-14-27(15-13-26)22-7-3-5-18-4-1-2-6-19(18)22;/h1-9,16H,10-15H2;1H
InChIKeyJBJKTYABIKTAHQ-UHFFFAOYSA-N
MW406.92 g/mol
LogP3.00
Rot. Bonds4

About 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride

5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride (PubChem CID 22464414) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride
PubChem CID22464414
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride
SMILESCl.O=C1N=c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2=N1
InChIInChI=1S/C23H22N4O.ClH/c28-23-24-20-9-8-17(16-21(20)25-23)10-11-26-12-14-27(15-13-26)22-7-3-5-18-4-1-2-6-19(18)22;/h1-9,16H,10-15H2;1H
InChIKeyJBJKTYABIKTAHQ-UHFFFAOYSA-N
XLogP3.00
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione
CID 102065934
5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one
CID 150510597
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one
CID 11176199
1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one
CID 14581412
6-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one
CID 15054208
9-[4-(2-phenylethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 3044295
1-[4-(aminomethyl)phenyl]-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]imidazolidin-2-one;dihydrochloride
CID 174516347
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
4-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]chromen-2-one;hydrochloride
CID 121417612
3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]-1,2,3-benzotriazin-4-one
CID 24777372
4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one
CID 11837123
7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 134098503

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride (CID 22464414) is 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride is Cl.O=C1N=c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2=N1.
What is the InChIKey of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride?
The InChIKey is JBJKTYABIKTAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O.ClH/c28-23-24-20-9-8-17(16-21(20)25-23)10-11-26-12-14-27(15-13-26)22-7-3-5-18-4-1-2-6-19(18)22;/h1-9,16H,10-15H2;1H.
What are the key properties of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride?
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 22464414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).