2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride

C17H30Cl2N4O — CID 119892634

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
SMILESCC(C)Cn1ccnc1CNC(=O)CC1CC2CCC(C1)N2.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-12(2)11-21-6-5-18-16(21)10-19-17(22)9-13-7-14-3-4-15(8-13)20-14;;/h5-6,12-15,20H,3-4,7-11H2,1-2H3,(H,19,22);2*1H
InChIKeyVFNNPLQVQHBRON-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.92
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride (PubChem CID 119892634) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
PubChem CID119892634
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
SMILESCC(C)Cn1ccnc1CNC(=O)CC1CC2CCC(C1)N2.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-12(2)11-21-6-5-18-16(21)10-19-17(22)9-13-7-14-3-4-15(8-13)20-14;;/h5-6,12-15,20H,3-4,7-11H2,1-2H3,(H,19,22);2*1H
InChIKeyVFNNPLQVQHBRON-UHFFFAOYSA-N
XLogP2.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride
CID 120565762
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 119892665
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 119739831
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
CID 119892667
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 119848284
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119892617
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622
N-[4-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119701224
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride
CID 119710712
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 119751157

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride (CID 119892634) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride is CC(C)Cn1ccnc1CNC(=O)CC1CC2CCC(C1)N2.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
The InChIKey is VFNNPLQVQHBRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-12(2)11-21-6-5-18-16(21)10-19-17(22)9-13-7-14-3-4-15(8-13)20-14;;/h5-6,12-15,20H,3-4,7-11H2,1-2H3,(H,19,22);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119892634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).