1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride

C9H19Cl2N3O — CID 68755359

IUPAC1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride
SMILESCC(C)(O)Cn1cnc(CCN)c1.Cl.Cl
InChIInChI=1S/C9H17N3O.2ClH/c1-9(2,13)6-12-5-8(3-4-10)11-7-12;;/h5,7,13H,3-4,6,10H2,1-2H3;2*1H
InChIKeyLBDAFTJTEJSGQN-UHFFFAOYSA-N
MW256.18 g/mol
LogP1.00
Rot. Bonds4

About 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride

1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride (PubChem CID 68755359) has the molecular formula C9H19Cl2N3O and a molecular weight of 256.18 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride
PubChem CID68755359
Molecular FormulaC9H19Cl2N3O
Molecular Weight256.18 g/mol
Exact Mass255.09
IUPAC Name1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride
SMILESCC(C)(O)Cn1cnc(CCN)c1.Cl.Cl
InChIInChI=1S/C9H17N3O.2ClH/c1-9(2,13)6-12-5-8(3-4-10)11-7-12;;/h5,7,13H,3-4,6,10H2,1-2H3;2*1H
InChIKeyLBDAFTJTEJSGQN-UHFFFAOYSA-N
XLogP1.00
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride?
The IUPAC name of 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride (CID 68755359) is 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride?
The canonical SMILES for 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride is CC(C)(O)Cn1cnc(CCN)c1.Cl.Cl.
What is the InChIKey of 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride?
The InChIKey is LBDAFTJTEJSGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.2ClH/c1-9(2,13)6-12-5-8(3-4-10)11-7-12;;/h5,7,13H,3-4,6,10H2,1-2H3;2*1H.
What are the key properties of 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride?
1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride has a molecular weight of 256.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)imidazol-1-yl]-2-methylpropan-2-ol;dihydrochloride is sourced from PubChem (CID 68755359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).