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

C13H16F3N3 — CID 79509521

IUPAC1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3N3/c1-2-7-19-11(8-18-12(19)17)9-3-5-10(6-4-9)13(14,15)16/h3-6,11H,2,7-8H2,1H3,(H2,17,18)
InChIKeyCNHDHSKRODOYGY-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.79
Rot. Bonds3

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

1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79509521) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79509521
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3N3/c1-2-7-19-11(8-18-12(19)17)9-3-5-10(6-4-9)13(14,15)16/h3-6,11H,2,7-8H2,1H3,(H2,17,18)
InChIKeyCNHDHSKRODOYGY-UHFFFAOYSA-N
XLogP2.79
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.79
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
5-(4-ethoxyphenyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 79509186
(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
CID 16682614
1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509319
5-(3,5-dichlorophenyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 79509195
5-(4-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510699
5-[4-(difluoromethoxy)phenyl]-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 79505375
1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 79501169
5-(3,4-difluorophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 79504700
1-[2-(diethylamino)ethyl]-5-(3,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79500886
1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509586
5-(4-tert-butylphenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79509998

Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79509521) is 1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine is CCCN1C(N)=NCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is CNHDHSKRODOYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-2-7-19-11(8-18-12(19)17)9-3-5-10(6-4-9)13(14,15)16/h3-6,11H,2,7-8H2,1H3,(H2,17,18).
What are the key properties of 1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 271.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).