N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C12H16FN3O — CID 120970093

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(CNC2=NCCN2C)cc1F
InChIInChI=1S/C12H16FN3O/c1-16-6-5-14-12(16)15-8-9-3-4-11(17-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyZNVGDGUOVFKYSF-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.23
Rot. Bonds3

About N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120970093) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120970093
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(CNC2=NCCN2C)cc1F
InChIInChI=1S/C12H16FN3O/c1-16-6-5-14-12(16)15-8-9-3-4-11(17-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyZNVGDGUOVFKYSF-UHFFFAOYSA-N
XLogP1.23
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969741
N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970582
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969682
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970170
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970728
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972793
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113290173
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
2-fluoro-4-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]benzonitrile
CID 122098141

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120970093) is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is COc1ccc(CNC2=NCCN2C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is ZNVGDGUOVFKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-16-6-5-14-12(16)15-8-9-3-4-11(17-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 237.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).