7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole

C11H10F3N3 — CID 115403503

IUPAC7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)C1CCc2nc3ncccn3c2C1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-2-3-8-9(6-7)17-5-1-4-15-10(17)16-8/h1,4-5,7H,2-3,6H2
InChIKeyVXLGIABEQFBDOP-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.40
Rot. Bonds

About 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole

7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole (PubChem CID 115403503) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
PubChem CID115403503
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
SMILESFC(F)(F)C1CCc2nc3ncccn3c2C1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-2-3-8-9(6-7)17-5-1-4-15-10(17)16-8/h1,4-5,7H,2-3,6H2
InChIKeyVXLGIABEQFBDOP-UHFFFAOYSA-N
XLogP2.40
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluorophenyl)imidazo[1,2-a]pyrimidine
CID 696185
1-[4-[5-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 95826729
7-(1-Propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 95826739
1-[4-[7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone
CID 95828270
5-(1-Pyrazin-2-ylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 95829049
5-(1-Propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 110258503
5-(1-Pyrazin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 110258966
5-(1-Pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 110258989
7-(1-Methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 118740384
2-Phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 164679284
(e)-2-(4-(Trifluoromethyl)styryl)imidazo[1,2-a]pyrimidine
CID 166001604
5,7-Di(propan-2-yl)imidazo[1,2-a]pyrimidine
CID 168339361

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole (CID 115403503) is 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole is FC(F)(F)C1CCc2nc3ncccn3c2C1.
What is the InChIKey of 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
The InChIKey is VXLGIABEQFBDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)7-2-3-8-9(6-7)17-5-1-4-15-10(17)16-8/h1,4-5,7H,2-3,6H2.
What are the key properties of 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole?
7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole has a molecular weight of 241.22 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 115403503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).