N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine

C11H15N3O — CID 63109298

IUPACN-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ccco2)[nH]1
InChIInChI=1S/C11H15N3O/c1-8(2)12-6-9-7-13-11(14-9)10-4-3-5-15-10/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)
InChIKeyXYVIGQYSCOZTII-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.17
Rot. Bonds4

About N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 63109298) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID63109298
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ccco2)[nH]1
InChIInChI=1S/C11H15N3O/c1-8(2)12-6-9-7-13-11(14-9)10-4-3-5-15-10/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)
InChIKeyXYVIGQYSCOZTII-UHFFFAOYSA-N
XLogP2.17
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-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-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 63109298) is N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(-c2ccco2)[nH]1.
What is the InChIKey of N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is XYVIGQYSCOZTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)12-6-9-7-13-11(14-9)10-4-3-5-15-10/h3-5,7-8,12H,6H2,1-2H3,(H,13,14).
What are the key properties of N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 205.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63109298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).