2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride

C8H15Cl2N3O2S — CID 91127437

IUPAC2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride
SMILESCc1[nH]cnc1CN(C)CCO.O=S(Cl)Cl
InChIInChI=1S/C8H15N3O.Cl2OS/c1-7-8(10-6-9-7)5-11(2)3-4-12;1-4(2)3/h6,12H,3-5H2,1-2H3,(H,9,10);
InChIKeyWAPWWCZLCRTHBI-UHFFFAOYSA-N
MW288.20 g/mol
LogP1.18
Rot. Bonds4

About 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride

2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride (PubChem CID 91127437) has the molecular formula C8H15Cl2N3O2S and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride
PubChem CID91127437
Molecular FormulaC8H15Cl2N3O2S
Molecular Weight288.20 g/mol
Exact Mass287.03
IUPAC Name2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride
SMILESCc1[nH]cnc1CN(C)CCO.O=S(Cl)Cl
InChIInChI=1S/C8H15N3O.Cl2OS/c1-7-8(10-6-9-7)5-11(2)3-4-12;1-4(2)3/h6,12H,3-5H2,1-2H3,(H,9,10);
InChIKeyWAPWWCZLCRTHBI-UHFFFAOYSA-N
XLogP1.18
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride?
The IUPAC name of 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride (CID 91127437) is 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride.
What is the SMILES notation for 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride?
The canonical SMILES for 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride is Cc1[nH]cnc1CN(C)CCO.O=S(Cl)Cl.
What is the InChIKey of 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride?
The InChIKey is WAPWWCZLCRTHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.Cl2OS/c1-7-8(10-6-9-7)5-11(2)3-4-12;1-4(2)3/h6,12H,3-5H2,1-2H3,(H,9,10);.
What are the key properties of 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride?
2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride has a molecular weight of 288.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol;thionyl dichloride is sourced from PubChem (CID 91127437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).