2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol

C16H31N3O4S — CID 25274699

IUPAC2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC
InChIInChI=1S/C16H31N3O4S/c1-5-18(7-9-20)13-15-12-17-16(19(15)8-10-23-4)24(21,22)11-6-14(2)3/h12,14,20H,5-11,13H2,1-4H3
InChIKeyYPMRFFGETYDTDE-UHFFFAOYSA-N
MW361.51 g/mol
LogP1.16
Rot. Bonds12

About 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol

2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol (PubChem CID 25274699) has the molecular formula C16H31N3O4S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol
PubChem CID25274699
Molecular FormulaC16H31N3O4S
Molecular Weight361.51 g/mol
Exact Mass361.20
IUPAC Name2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC
InChIInChI=1S/C16H31N3O4S/c1-5-18(7-9-20)13-15-12-17-16(19(15)8-10-23-4)24(21,22)11-6-14(2)3/h12,14,20H,5-11,13H2,1-4H3
InChIKeyYPMRFFGETYDTDE-UHFFFAOYSA-N
XLogP1.16
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol (CID 25274699) is 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol is CCN(CCO)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC.
What is the InChIKey of 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol?
The InChIKey is YPMRFFGETYDTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4S/c1-5-18(7-9-20)13-15-12-17-16(19(15)8-10-23-4)24(21,22)11-6-14(2)3/h12,14,20H,5-11,13H2,1-4H3.
What are the key properties of 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol?
2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol has a molecular weight of 361.51 g/mol, XLogP of 1.16, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 25274699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).