5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C16H18F4N4 — CID 134280986

IUPAC5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1CC(F)C1
InChIInChI=1S/C16H18F4N4/c1-8(2)15-23-13(7-24(15)11-4-10(17)5-11)9-3-12(16(18,19)20)14(21)22-6-9/h3,6-8,10-11H,4-5H2,1-2H3,(H2,21,22)
InChIKeyBSUNXSVZKSJGRW-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.34
Rot. Bonds3

About 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134280986) has the molecular formula C16H18F4N4 and a molecular weight of 342.34 g/mol. Its IUPAC name is 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134280986
Molecular FormulaC16H18F4N4
Molecular Weight342.34 g/mol
Exact Mass342.15
IUPAC Name5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1CC(F)C1
InChIInChI=1S/C16H18F4N4/c1-8(2)15-23-13(7-24(15)11-4-10(17)5-11)9-3-12(16(18,19)20)14(21)22-6-9/h3,6-8,10-11H,4-5H2,1-2H3,(H2,21,22)
InChIKeyBSUNXSVZKSJGRW-UHFFFAOYSA-N
XLogP4.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134280986) is 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1CC(F)C1.
What is the InChIKey of 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BSUNXSVZKSJGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N4/c1-8(2)15-23-13(7-24(15)11-4-10(17)5-11)9-3-12(16(18,19)20)14(21)22-6-9/h3,6-8,10-11H,4-5H2,1-2H3,(H2,21,22).
What are the key properties of 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 342.34 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134280986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).