2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol

C24H31N3O3S — CID 45223103

IUPAC2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
SMILESCCS(=O)(=O)c1ncc(CN(C)CC(O)c2ccccc2)n1CCCc1ccccc1
InChIInChI=1S/C24H31N3O3S/c1-3-31(29,30)24-25-17-22(27(24)16-10-13-20-11-6-4-7-12-20)18-26(2)19-23(28)21-14-8-5-9-15-21/h4-9,11-12,14-15,17,23,28H,3,10,13,16,18-19H2,1-2H3
InChIKeyPQYUCGZSZYMWSO-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.47
Rot. Bonds11

About 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol

2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol (PubChem CID 45223103) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
PubChem CID45223103
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
SMILESCCS(=O)(=O)c1ncc(CN(C)CC(O)c2ccccc2)n1CCCc1ccccc1
InChIInChI=1S/C24H31N3O3S/c1-3-31(29,30)24-25-17-22(27(24)16-10-13-20-11-6-4-7-12-20)18-26(2)19-23(28)21-14-8-5-9-15-21/h4-9,11-12,14-15,17,23,28H,3,10,13,16,18-19H2,1-2H3
InChIKeyPQYUCGZSZYMWSO-UHFFFAOYSA-N
XLogP3.47
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol
CID 45189890
N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45244584
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 29023100
N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine
CID 42518145
N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine
CID 25280780
1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 56707479
(2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol
CID 42529111
(3S)-1-ethyl-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methylpiperazin-2-one
CID 42287099
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-N-methylethanamine
CID 42596188
(8aS)-2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124838678
N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 25282632
1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
CID 45205196

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol?
The IUPAC name of 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol (CID 45223103) is 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol?
The canonical SMILES for 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol is CCS(=O)(=O)c1ncc(CN(C)CC(O)c2ccccc2)n1CCCc1ccccc1.
What is the InChIKey of 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol?
The InChIKey is PQYUCGZSZYMWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-3-31(29,30)24-25-17-22(27(24)16-10-13-20-11-6-4-7-12-20)18-26(2)19-23(28)21-14-8-5-9-15-21/h4-9,11-12,14-15,17,23,28H,3,10,13,16,18-19H2,1-2H3.
What are the key properties of 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol?
2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol has a molecular weight of 441.60 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol is sourced from PubChem (CID 45223103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).