2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol

C17H31N3O4S — CID 42596697

IUPAC2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol
SMILESCOCCn1c(CN(C)CCO)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H31N3O4S/c1-19(8-10-21)13-16-12-18-17(20(16)9-11-24-2)25(22,23)14-15-6-4-3-5-7-15/h12,15,21H,3-11,13-14H2,1-2H3
InChIKeyHOXAECQVONMYGO-UHFFFAOYSA-N
MW373.52 g/mol
LogP1.31
Rot. Bonds10

About 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol

2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol (PubChem CID 42596697) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol
PubChem CID42596697
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC Name2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol
SMILESCOCCn1c(CN(C)CCO)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H31N3O4S/c1-19(8-10-21)13-16-12-18-17(20(16)9-11-24-2)25(22,23)14-15-6-4-3-5-7-15/h12,15,21H,3-11,13-14H2,1-2H3
InChIKeyHOXAECQVONMYGO-UHFFFAOYSA-N
XLogP1.31
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol (CID 42596697) is 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol is COCCn1c(CN(C)CCO)cnc1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol?
The InChIKey is HOXAECQVONMYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-19(8-10-21)13-16-12-18-17(20(16)9-11-24-2)25(22,23)14-15-6-4-3-5-7-15/h12,15,21H,3-11,13-14H2,1-2H3.
What are the key properties of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol?
2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol has a molecular weight of 373.52 g/mol, XLogP of 1.31, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 42596697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).