N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C16H20IN3O — CID 166367410

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCc1cc(CNC2=NCC(c3ccccc3)N2)c(C)o1.I
InChIInChI=1S/C16H19N3O.HI/c1-11-8-14(12(2)20-11)9-17-16-18-10-15(19-16)13-6-4-3-5-7-13;/h3-8,15H,9-10H2,1-2H3,(H2,17,18,19);1H
InChIKeyOLZWMSJOYYQQAY-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.30
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 166367410) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID166367410
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCc1cc(CNC2=NCC(c3ccccc3)N2)c(C)o1.I
InChIInChI=1S/C16H19N3O.HI/c1-11-8-14(12(2)20-11)9-17-16-18-10-15(19-16)13-6-4-3-5-7-13;/h3-8,15H,9-10H2,1-2H3,(H2,17,18,19);1H
InChIKeyOLZWMSJOYYQQAY-UHFFFAOYSA-N
XLogP3.30
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 166367410) is N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is Cc1cc(CNC2=NCC(c3ccccc3)N2)c(C)o1.I.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is OLZWMSJOYYQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.HI/c1-11-8-14(12(2)20-11)9-17-16-18-10-15(19-16)13-6-4-3-5-7-13;/h3-8,15H,9-10H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 397.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 166367410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).