1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine

C13H14F3N3O — CID 107105376

IUPAC1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccc(OC(F)(F)F)c2)N1C1CC1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)20-10-3-1-2-8(6-10)11-7-18-12(17)19(11)9-4-5-9/h1-3,6,9,11H,4-5,7H2,(H2,17,18)
InChIKeyNONVHOYQCAXJJF-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.42
Rot. Bonds3

About 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine

1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 107105376) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID107105376
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccc(OC(F)(F)F)c2)N1C1CC1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)20-10-3-1-2-8(6-10)11-7-18-12(17)19(11)9-4-5-9/h1-3,6,9,11H,4-5,7H2,(H2,17,18)
InChIKeyNONVHOYQCAXJJF-UHFFFAOYSA-N
XLogP2.42
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509586
1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79509654
(4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68716237
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79498168
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
(1S,5R)-6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166708564
1-cyclopropyl-5-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79509098
5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 79510094
5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine
CID 79497674
1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79496568

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine (CID 107105376) is 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cccc(OC(F)(F)F)c2)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is NONVHOYQCAXJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)20-10-3-1-2-8(6-10)11-7-18-12(17)19(11)9-4-5-9/h1-3,6,9,11H,4-5,7H2,(H2,17,18).
What are the key properties of 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine?
1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 285.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 107105376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).