3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride

C12H16ClFN4O — CID 70158746

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(NCC2=NCCN2)c1F.Cl
InChIInChI=1S/C12H15FN4O.ClH/c1-14-12(18)8-3-2-4-9(11(8)13)17-7-10-15-5-6-16-10;/h2-4,17H,5-7H2,1H3,(H,14,18)(H,15,16);1H
InChIKeyLSESKAPRRQJOIY-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.02
Rot. Bonds4

About 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride

3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride (PubChem CID 70158746) has the molecular formula C12H16ClFN4O and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride
PubChem CID70158746
Molecular FormulaC12H16ClFN4O
Molecular Weight286.74 g/mol
Exact Mass286.10
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(NCC2=NCCN2)c1F.Cl
InChIInChI=1S/C12H15FN4O.ClH/c1-14-12(18)8-3-2-4-9(11(8)13)17-7-10-15-5-6-16-10;/h2-4,17H,5-7H2,1H3,(H,14,18)(H,15,16);1H
InChIKeyLSESKAPRRQJOIY-UHFFFAOYSA-N
XLogP1.02
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline
CID 14878257
[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone
CID 22493423
1-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pent-4-en-1-one
CID 22493267
trifluoro-[2-fluoro-3-(methylcarbamoyl)phenyl]boranuide
CID 91659200
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoro-6-methylsulfanylaniline
CID 10871952
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfanylaniline
CID 11097789
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline
CID 134156190
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline
CID 22493387
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
bis(N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoro-3-methylphenyl]methanesulfonamide);methanol;hydrochloride
CID 159955160
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride (CID 70158746) is 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride is CNC(=O)c1cccc(NCC2=NCCN2)c1F.Cl.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride?
The InChIKey is LSESKAPRRQJOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O.ClH/c1-14-12(18)8-3-2-4-9(11(8)13)17-7-10-15-5-6-16-10;/h2-4,17H,5-7H2,1H3,(H,14,18)(H,15,16);1H.
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride?
3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride has a molecular weight of 286.74 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-2-fluoro-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 70158746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).