2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride

C6H13Cl2N3O — CID 45156287

IUPAC2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C(O)CN
InChIInChI=1S/C6H11N3O.2ClH/c1-9-3-2-8-6(9)5(10)4-7;;/h2-3,5,10H,4,7H2,1H3;2*1H
InChIKeyBMHKMIZAGKTFLS-UHFFFAOYSA-N
MW214.10 g/mol
LogP0.26
Rot. Bonds2

About 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride

2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride (PubChem CID 45156287) has the molecular formula C6H13Cl2N3O and a molecular weight of 214.10 g/mol. Its IUPAC name is 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride
PubChem CID45156287
Molecular FormulaC6H13Cl2N3O
Molecular Weight214.10 g/mol
Exact Mass213.04
IUPAC Name2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C(O)CN
InChIInChI=1S/C6H11N3O.2ClH/c1-9-3-2-8-6(9)5(10)4-7;;/h2-3,5,10H,4,7H2,1H3;2*1H
InChIKeyBMHKMIZAGKTFLS-UHFFFAOYSA-N
XLogP0.26
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.10
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride?
The IUPAC name of 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride (CID 45156287) is 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride.
What is the SMILES notation for 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride?
The canonical SMILES for 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride is Cl.Cl.Cn1ccnc1C(O)CN.
What is the InChIKey of 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride?
The InChIKey is BMHKMIZAGKTFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.2ClH/c1-9-3-2-8-6(9)5(10)4-7;;/h2-3,5,10H,4,7H2,1H3;2*1H.
What are the key properties of 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride?
2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride has a molecular weight of 214.10 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methylimidazol-2-yl)ethanol;dihydrochloride is sourced from PubChem (CID 45156287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).