4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride

C13H26Cl2N4O — CID 120565762

IUPAC4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride
SMILESCC(C)Cn1ccnc1CNC(=O)CCC(C)N.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-10(2)9-17-7-6-15-12(17)8-16-13(18)5-4-11(3)14;;/h6-7,10-11H,4-5,8-9,14H2,1-3H3,(H,16,18);2*1H
InChIKeyRZFIXXUKLPWUFV-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.13
Rot. Bonds7

About 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride

4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride (PubChem CID 120565762) has the molecular formula C13H26Cl2N4O and a molecular weight of 325.28 g/mol. Its IUPAC name is 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride
PubChem CID120565762
Molecular FormulaC13H26Cl2N4O
Molecular Weight325.28 g/mol
Exact Mass324.15
IUPAC Name4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride
SMILESCC(C)Cn1ccnc1CNC(=O)CCC(C)N.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-10(2)9-17-7-6-15-12(17)8-16-13(18)5-4-11(3)14;;/h6-7,10-11H,4-5,8-9,14H2,1-3H3,(H,16,18);2*1H
InChIKeyRZFIXXUKLPWUFV-UHFFFAOYSA-N
XLogP2.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 119892665
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
CID 119892667
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119892634
1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 95965670
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119892617
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea
CID 75423072
2-methyl-1-(2-methylpropyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111772918
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 111507230
1-(2-tert-butylpyrimidin-5-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71926143
2-methyl-1-(2-methylpropyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111772917

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride (CID 120565762) is 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride is CC(C)Cn1ccnc1CNC(=O)CCC(C)N.Cl.Cl.
What is the InChIKey of 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride?
The InChIKey is RZFIXXUKLPWUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.2ClH/c1-10(2)9-17-7-6-15-12(17)8-16-13(18)5-4-11(3)14;;/h6-7,10-11H,4-5,8-9,14H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride?
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120565762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).