N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

C12H16FN3O2S — CID 120972739

IUPACN-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2cc(S(C)(=O)=O)ccc2F)N1
InChIInChI=1S/C12H16FN3O2S/c1-8-6-14-12(16-8)15-7-9-5-10(19(2,17)18)3-4-11(9)13/h3-5,8H,6-7H2,1-2H3,(H2,14,15,16)
InChIKeyOHCSQWINNLUPQZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.67
Rot. Bonds3

About N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 120972739) has the molecular formula C12H16FN3O2S and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID120972739
Molecular FormulaC12H16FN3O2S
Molecular Weight285.34 g/mol
Exact Mass285.09
IUPAC NameN-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2cc(S(C)(=O)=O)ccc2F)N1
InChIInChI=1S/C12H16FN3O2S/c1-8-6-14-12(16-8)15-7-9-5-10(19(2,17)18)3-4-11(9)13/h3-5,8H,6-7H2,1-2H3,(H2,14,15,16)
InChIKeyOHCSQWINNLUPQZ-UHFFFAOYSA-N
XLogP0.67
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide
CID 120971670
2-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-methylsulfonylaniline
CID 43717698
N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969436
N-(2-aminoethyl)-N-cyclopropyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 61350717
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120970387
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777994
2-fluoro-5-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80562570
2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
CID 122236189
N-(azetidin-3-yl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66183403
N-(3,4-dimethylcyclohexyl)-2-fluoro-5-methylsulfonylaniline
CID 64734538
2-fluoro-5-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760465
N-[(4-ethylphenyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 43717610

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 120972739) is N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(NCc2cc(S(C)(=O)=O)ccc2F)N1.
What is the InChIKey of N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is OHCSQWINNLUPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2S/c1-8-6-14-12(16-8)15-7-9-5-10(19(2,17)18)3-4-11(9)13/h3-5,8H,6-7H2,1-2H3,(H2,14,15,16).
What are the key properties of N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 285.34 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylsulfonylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 120972739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).