1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine

C19H28N4O3S — CID 31016672

IUPAC1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine
SMILESCCS(=O)(=O)c1ncc(CN2CCN(c3ccccc3)CC2)n1CCOC
InChIInChI=1S/C19H28N4O3S/c1-3-27(24,25)19-20-15-18(23(19)13-14-26-2)16-21-9-11-22(12-10-21)17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3
InChIKeyDLGUMSKTJKBAEA-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.65
Rot. Bonds8

About 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine

1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine (PubChem CID 31016672) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine
PubChem CID31016672
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine
SMILESCCS(=O)(=O)c1ncc(CN2CCN(c3ccccc3)CC2)n1CCOC
InChIInChI=1S/C19H28N4O3S/c1-3-27(24,25)19-20-15-18(23(19)13-14-26-2)16-21-9-11-22(12-10-21)17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3
InChIKeyDLGUMSKTJKBAEA-UHFFFAOYSA-N
XLogP1.65
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine (CID 31016672) is 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine is CCS(=O)(=O)c1ncc(CN2CCN(c3ccccc3)CC2)n1CCOC.
What is the InChIKey of 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine?
The InChIKey is DLGUMSKTJKBAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-3-27(24,25)19-20-15-18(23(19)13-14-26-2)16-21-9-11-22(12-10-21)17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3.
What are the key properties of 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine?
1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine has a molecular weight of 392.53 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 31016672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).