N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C13H16F2IN3 — CID 120972624

IUPACN-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1N[C@@H]1C[C@H]1c1c(F)cccc1F.I
InChIInChI=1S/C13H15F2N3.HI/c1-18-6-5-16-13(18)17-11-7-8(11)12-9(14)3-2-4-10(12)15;/h2-4,8,11H,5-7H2,1H3,(H,16,17);1H/t8-,11-;/m1./s1
InChIKeyUEILUADXIQMNRV-JHQAJZDGSA-N
MW379.19 g/mol
LogP2.33
Rot. Bonds2

About N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972624) has the molecular formula C13H16F2IN3 and a molecular weight of 379.19 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972624
Molecular FormulaC13H16F2IN3
Molecular Weight379.19 g/mol
Exact Mass379.04
IUPAC NameN-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1N[C@@H]1C[C@H]1c1c(F)cccc1F.I
InChIInChI=1S/C13H15F2N3.HI/c1-18-6-5-16-13(18)17-11-7-8(11)12-9(14)3-2-4-10(12)15;/h2-4,8,11H,5-7H2,1H3,(H,16,17);1H/t8-,11-;/m1./s1
InChIKeyUEILUADXIQMNRV-JHQAJZDGSA-N
XLogP2.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972624) is N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1N[C@@H]1C[C@H]1c1c(F)cccc1F.I.
What is the InChIKey of N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is UEILUADXIQMNRV-JHQAJZDGSA-N. The full InChI is InChI=1S/C13H15F2N3.HI/c1-18-6-5-16-13(18)17-11-7-8(11)12-9(14)3-2-4-10(12)15;/h2-4,8,11H,5-7H2,1H3,(H,16,17);1H/t8-,11-;/m1./s1.
What are the key properties of N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 379.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).