3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine

C11H15N3O — CID 80544658

IUPAC3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine
SMILESCC(CCN)c1ncc(-c2ccco2)[nH]1
InChIInChI=1S/C11H15N3O/c1-8(4-5-12)11-13-7-9(14-11)10-3-2-6-15-10/h2-3,6-8H,4-5,12H2,1H3,(H,13,14)
InChIKeyKUVVMJFSTFBUOM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.12
Rot. Bonds4

About 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine

3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 80544658) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID80544658
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine
SMILESCC(CCN)c1ncc(-c2ccco2)[nH]1
InChIInChI=1S/C11H15N3O/c1-8(4-5-12)11-13-7-9(14-11)10-3-2-6-15-10/h2-3,6-8H,4-5,12H2,1H3,(H,13,14)
InChIKeyKUVVMJFSTFBUOM-UHFFFAOYSA-N
XLogP2.12
TPSA67.84 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-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 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine (CID 80544658) is 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine is CC(CCN)c1ncc(-c2ccco2)[nH]1.
What is the InChIKey of 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is KUVVMJFSTFBUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(4-5-12)11-13-7-9(14-11)10-3-2-6-15-10/h2-3,6-8H,4-5,12H2,1H3,(H,13,14).
What are the key properties of 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine?
3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 80544658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).