N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C13H17F3IN3O — CID 120970800

IUPACN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOc1ccc(CNC2=NCCN2C)c(C(F)(F)F)c1.I
InChIInChI=1S/C13H16F3N3O.HI/c1-19-6-5-17-12(19)18-8-9-3-4-10(20-2)7-11(9)13(14,15)16;/h3-4,7H,5-6,8H2,1-2H3,(H,17,18);1H
InChIKeyOKBYQDJNAGSRFE-UHFFFAOYSA-N
MW415.20 g/mol
LogP2.72
Rot. Bonds3

About N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970800) has the molecular formula C13H17F3IN3O and a molecular weight of 415.20 g/mol. Its IUPAC name is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970800
Molecular FormulaC13H17F3IN3O
Molecular Weight415.20 g/mol
Exact Mass415.04
IUPAC NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOc1ccc(CNC2=NCCN2C)c(C(F)(F)F)c1.I
InChIInChI=1S/C13H16F3N3O.HI/c1-19-6-5-17-12(19)18-8-9-3-4-10(20-2)7-11(9)13(14,15)16;/h3-4,7H,5-6,8H2,1-2H3,(H,17,18);1H
InChIKeyOKBYQDJNAGSRFE-UHFFFAOYSA-N
XLogP2.72
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970232
N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970233
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970728
1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970341
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110934849
N-[[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096128
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971559
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969603
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969728
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971952

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970800) is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is COc1ccc(CNC2=NCCN2C)c(C(F)(F)F)c1.I.
What is the InChIKey of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is OKBYQDJNAGSRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O.HI/c1-19-6-5-17-12(19)18-8-9-3-4-10(20-2)7-11(9)13(14,15)16;/h3-4,7H,5-6,8H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 415.20 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).