N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine

C15H19N3O2 — CID 60854851

IUPACN-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2ccc3c(c2)OCO3)[nH]1
InChIInChI=1S/C15H19N3O2/c1-3-10(2)16-8-15-17-7-12(18-15)11-4-5-13-14(6-11)20-9-19-13/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyGGHLFFWDYMKPGH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.69
Rot. Bonds5

About N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine

N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine (PubChem CID 60854851) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
PubChem CID60854851
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2ccc3c(c2)OCO3)[nH]1
InChIInChI=1S/C15H19N3O2/c1-3-10(2)16-8-15-17-7-12(18-15)11-4-5-13-14(6-11)20-9-19-13/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyGGHLFFWDYMKPGH-UHFFFAOYSA-N
XLogP2.69
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651418
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60853947
3-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880138
2,5-bis(1,3-benzodioxol-5-yl)-1H-imidazole;molecular hydrogen
CID 143969673
1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651339
N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 54925298
cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 95334194
N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 62795802
N-[[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60852316
N-[(1R)-1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]propanamide
CID 95339295
5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine
CID 116977203
N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 116877363

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine (CID 60854851) is N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine is CCC(C)NCc1ncc(-c2ccc3c(c2)OCO3)[nH]1.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The InChIKey is GGHLFFWDYMKPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-10(2)16-8-15-17-7-12(18-15)11-4-5-13-14(6-11)20-9-19-13/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 60854851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).