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

C13H14F3N3 — CID 79509319

IUPAC1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(C(F)(F)F)cc2)N1C1CC1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)9-3-1-8(2-4-9)11-7-18-12(17)19(11)10-5-6-10/h1-4,10-11H,5-7H2,(H2,17,18)
InChIKeyODFMAHSUDGDJSL-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.54
Rot. Bonds2

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

1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79509319) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79509319
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(C(F)(F)F)cc2)N1C1CC1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)9-3-1-8(2-4-9)11-7-18-12(17)19(11)10-5-6-10/h1-4,10-11H,5-7H2,(H2,17,18)
InChIKeyODFMAHSUDGDJSL-UHFFFAOYSA-N
XLogP2.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 79521412
1-cyclopentyl-5-phenyl-4,5-dihydroimidazol-2-amine
CID 79521565
1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509521
1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79509654
5-(4-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510699
5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79509998
1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509586
(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
CID 16682614
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 73162628
1-cyclopropyl-5-methyl-4,5-dihydroimidazol-2-amine
CID 79510203
1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 79501169
3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
CID 133180308

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79509319) is 1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(C(F)(F)F)cc2)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is ODFMAHSUDGDJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)9-3-1-8(2-4-9)11-7-18-12(17)19(11)10-5-6-10/h1-4,10-11H,5-7H2,(H2,17,18).
What are the key properties of 1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 269.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).