1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine

C19H28N4OS — CID 71294087

IUPAC1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCSc2nc(C)c(C)[nH]2)CC1
InChIInChI=1S/C19H28N4OS/c1-15-16(2)21-19(20-15)25-14-6-9-22-10-12-23(13-11-22)17-7-4-5-8-18(17)24-3/h4-5,7-8H,6,9-14H2,1-3H3,(H,20,21)
InChIKeyWUNBRKDVXXVJFW-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.34
Rot. Bonds7

About 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine

1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 71294087) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine
PubChem CID71294087
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCSc2nc(C)c(C)[nH]2)CC1
InChIInChI=1S/C19H28N4OS/c1-15-16(2)21-19(20-15)25-14-6-9-22-10-12-23(13-11-22)17-7-4-5-8-18(17)24-3/h4-5,7-8H,6,9-14H2,1-3H3,(H,20,21)
InChIKeyWUNBRKDVXXVJFW-UHFFFAOYSA-N
XLogP3.34
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1-methylbenzimidazole
CID 24949695
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1,3-benzothiazole
CID 24949690
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione
CID 139780418
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
CID 135985971
ethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethylpyrimidine-5-carboxylate
CID 10347539
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine (CID 71294087) is 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCCSc2nc(C)c(C)[nH]2)CC1.
What is the InChIKey of 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is WUNBRKDVXXVJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-15-16(2)21-19(20-15)25-14-6-9-22-10-12-23(13-11-22)17-7-4-5-8-18(17)24-3/h4-5,7-8H,6,9-14H2,1-3H3,(H,20,21).
What are the key properties of 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine?
1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 360.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]propyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 71294087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).