3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone

C14H12F3N3O2 — CID 20803074

IUPAC3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)22-10-3-1-9(2-4-10)13(21)20-6-5-11-12(7-20)19-8-18-11/h1-4,8H,5-7H2,(H,18,19)
InChIKeyBKDWJLHTTQXOPF-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.51
Rot. Bonds2

About 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone

3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 20803074) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID20803074
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)22-10-3-1-9(2-4-10)13(21)20-6-5-11-12(7-20)19-8-18-11/h1-4,8H,5-7H2,(H,18,19)
InChIKeyBKDWJLHTTQXOPF-UHFFFAOYSA-N
XLogP2.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone (CID 20803074) is 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCc2nc[nH]c2C1.
What is the InChIKey of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is BKDWJLHTTQXOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)22-10-3-1-9(2-4-10)13(21)20-6-5-11-12(7-20)19-8-18-11/h1-4,8H,5-7H2,(H,18,19).
What are the key properties of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone?
3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 311.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 20803074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).