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

C12H15F2N3O2 — CID 79509261

IUPAC5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(C2CN=C(N)N2C)cc1OC(F)F
InChIInChI=1S/C12H15F2N3O2/c1-17-8(6-16-12(17)15)7-3-4-9(18-2)10(5-7)19-11(13)14/h3-5,8,11H,6H2,1-2H3,(H2,15,16)
InChIKeyXAPVMGHLPSUHCG-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.60
Rot. Bonds4

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

5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 79509261) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID79509261
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(C2CN=C(N)N2C)cc1OC(F)F
InChIInChI=1S/C12H15F2N3O2/c1-17-8(6-16-12(17)15)7-3-4-9(18-2)10(5-7)19-11(13)14/h3-5,8,11H,6H2,1-2H3,(H2,15,16)
InChIKeyXAPVMGHLPSUHCG-UHFFFAOYSA-N
XLogP1.60
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510699
cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 57011853
5-(4-methoxy-3-methylphenyl)-1-phenyl-4,5-dihydroimidazol-2-amine
CID 79500733
5-[4-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 79505375
5-(3-chloro-4-methoxyphenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 79521731
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone
CID 43150284
2-methoxyethyl (6S)-6-[3-(difluoromethoxy)-4-methoxyphenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8864503
5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497862
5-(4-methoxy-3-methylphenyl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79501012
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969741
5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79500198
4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene
CID 121300586

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 79509261) is 5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine is COc1ccc(C2CN=C(N)N2C)cc1OC(F)F.
What is the InChIKey of 5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is XAPVMGHLPSUHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-17-8(6-16-12(17)15)7-3-4-9(18-2)10(5-7)19-11(13)14/h3-5,8,11H,6H2,1-2H3,(H2,15,16).
What are the key properties of 5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine?
5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 271.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).