2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine

C14H16F3N5 — CID 172797105

IUPAC2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine
SMILESFC(F)(F)CN1CCCCC1c1ncc(-c2ncccn2)[nH]1
InChIInChI=1S/C14H16F3N5/c15-14(16,17)9-22-7-2-1-4-11(22)13-20-8-10(21-13)12-18-5-3-6-19-12/h3,5-6,8,11H,1-2,4,7,9H2,(H,20,21)
InChIKeyQIVHBTGBJWFGAN-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.96
Rot. Bonds3

About 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine

2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine (PubChem CID 172797105) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine
PubChem CID172797105
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Name2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine
SMILESFC(F)(F)CN1CCCCC1c1ncc(-c2ncccn2)[nH]1
InChIInChI=1S/C14H16F3N5/c15-14(16,17)9-22-7-2-1-4-11(22)13-20-8-10(21-13)12-18-5-3-6-19-12/h3,5-6,8,11H,1-2,4,7,9H2,(H,20,21)
InChIKeyQIVHBTGBJWFGAN-UHFFFAOYSA-N
XLogP2.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine?
The IUPAC name of 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine (CID 172797105) is 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine.
What is the SMILES notation for 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine?
The canonical SMILES for 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine is FC(F)(F)CN1CCCCC1c1ncc(-c2ncccn2)[nH]1.
What is the InChIKey of 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine?
The InChIKey is QIVHBTGBJWFGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c15-14(16,17)9-22-7-2-1-4-11(22)13-20-8-10(21-13)12-18-5-3-6-19-12/h3,5-6,8,11H,1-2,4,7,9H2,(H,20,21).
What are the key properties of 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine?
2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine has a molecular weight of 311.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-imidazol-5-yl]pyrimidine is sourced from PubChem (CID 172797105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).