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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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).