N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine

C13H19N3O — CID 54925298

IUPACN-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2ccc(C)o2)[nH]1
InChIInChI=1S/C13H19N3O/c1-4-9(2)14-8-13-15-7-11(16-13)12-6-5-10(3)17-12/h5-7,9,14H,4,8H2,1-3H3,(H,15,16)
InChIKeyNASXSOXSTWBMPP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.87
Rot. Bonds5

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

N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine (PubChem CID 54925298) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
PubChem CID54925298
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2ccc(C)o2)[nH]1
InChIInChI=1S/C13H19N3O/c1-4-9(2)14-8-13-15-7-11(16-13)12-6-5-10(3)17-12/h5-7,9,14H,4,8H2,1-3H3,(H,15,16)
InChIKeyNASXSOXSTWBMPP-UHFFFAOYSA-N
XLogP2.87
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine (CID 54925298) is N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine is CCC(C)NCc1ncc(-c2ccc(C)o2)[nH]1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The InChIKey is NASXSOXSTWBMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-9(2)14-8-13-15-7-11(16-13)12-6-5-10(3)17-12/h5-7,9,14H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine has a molecular weight of 233.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 54925298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).