5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione

C23H22N4S — CID 102065934

IUPAC5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione
SMILESS=C1N=c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2=N1
InChIInChI=1S/C23H22N4S/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
InChIKeyDZRYJCPVPNJIOD-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.74
Rot. Bonds4

About 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione

5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione (PubChem CID 102065934) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione.

Molecular Properties

Compound Name5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione
PubChem CID102065934
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione
SMILESS=C1N=c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2=N1
InChIInChI=1S/C23H22N4S/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
InChIKeyDZRYJCPVPNJIOD-UHFFFAOYSA-N
XLogP2.74
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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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]-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
5-[2-(4-naphthalen-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one
CID 150510597
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine
CID 139776070
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
5-[4-[2-(3-iodophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444355
6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
CID 138374893
6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 138374857
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinoline-2-thione
CID 129186535

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione?
The IUPAC name of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione (CID 102065934) is 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione.
What is the SMILES notation for 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione?
The canonical SMILES for 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione is S=C1N=c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2=N1.
What is the InChIKey of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione?
The InChIKey is DZRYJCPVPNJIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/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.
What are the key properties of 5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione?
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazole-2-thione has a molecular weight of 386.52 g/mol, XLogP of 2.74, 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]benzimidazole-2-thione is sourced from PubChem (CID 102065934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).