N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C12H14ClF2N3O — CID 120970987

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C12H14ClF2N3O/c1-18-5-4-16-12(18)17-7-8-6-9(13)2-3-10(8)19-11(14)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,17)
InChIKeyKPCPEDIXYVIJPJ-UHFFFAOYSA-N
MW289.71 g/mol
LogP2.33
Rot. Bonds4

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120970987) has the molecular formula C12H14ClF2N3O and a molecular weight of 289.71 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120970987
Molecular FormulaC12H14ClF2N3O
Molecular Weight289.71 g/mol
Exact Mass289.08
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C12H14ClF2N3O/c1-18-5-4-16-12(18)17-7-8-6-9(13)2-3-10(8)19-11(14)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,17)
InChIKeyKPCPEDIXYVIJPJ-UHFFFAOYSA-N
XLogP2.33
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969741
N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972439
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
4-[6-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133492142
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970728
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972680
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719785
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933846
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-methylaniline
CID 63478583
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
CID 81268813
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 43425516

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120970987) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KPCPEDIXYVIJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N3O/c1-18-5-4-16-12(18)17-7-8-6-9(13)2-3-10(8)19-11(14)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 289.71 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).