N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C9H16F2IN3 — CID 120972536

IUPACN-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1(C(F)F)CC1.I
InChIInChI=1S/C9H15F2N3.HI/c1-14-5-4-12-8(14)13-6-9(2-3-9)7(10)11;/h7H,2-6H2,1H3,(H,12,13);1H
InChIKeyUJWFWHWGYMYVRI-UHFFFAOYSA-N
MW331.15 g/mol
LogP1.54
Rot. Bonds3

About N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972536) has the molecular formula C9H16F2IN3 and a molecular weight of 331.15 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972536
Molecular FormulaC9H16F2IN3
Molecular Weight331.15 g/mol
Exact Mass331.04
IUPAC NameN-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1(C(F)F)CC1.I
InChIInChI=1S/C9H15F2N3.HI/c1-14-5-4-12-8(14)13-6-9(2-3-9)7(10)11;/h7H,2-6H2,1H3,(H,12,13);1H
InChIKeyUJWFWHWGYMYVRI-UHFFFAOYSA-N
XLogP1.54
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972304
N-[(1-ethylcyclopentyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971656
N-[(4-ethyloxan-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970990
N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971853
1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969379
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972737
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970433
N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 126979416
N-[[1-(2-methoxyethyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972263
1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120971227
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite
CID 138502696

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972536) is N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC1(C(F)F)CC1.I.
What is the InChIKey of N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is UJWFWHWGYMYVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3.HI/c1-14-5-4-12-8(14)13-6-9(2-3-9)7(10)11;/h7H,2-6H2,1H3,(H,12,13);1H.
What are the key properties of N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 331.15 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).