8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole

C12H9F3N2 — CID 134852078

IUPAC8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole
SMILESFC(F)(F)C1=CC2C(C=C1)N=C1C=CC=CN12
InChIInChI=1S/C12H9F3N2/c13-12(14,15)8-4-5-9-10(7-8)17-6-2-1-3-11(17)16-9/h1-7,9-10H
InChIKeyTWIBSXIVFMCEBK-UHFFFAOYSA-N
MW238.21 g/mol
LogP2.58
Rot. Bonds

About 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole

8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole (PubChem CID 134852078) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole
PubChem CID134852078
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole
SMILESFC(F)(F)C1=CC2C(C=C1)N=C1C=CC=CN12
InChIInChI=1S/C12H9F3N2/c13-12(14,15)8-4-5-9-10(7-8)17-6-2-1-3-11(17)16-9/h1-7,9-10H
InChIKeyTWIBSXIVFMCEBK-UHFFFAOYSA-N
XLogP2.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoro-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863781
Ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746972
3-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134852398
5a,9a-Dihydropyrido[1,2-a]benzimidazole
CID 134852401
8-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863778
7-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863862
3-tert-butyl-1,1-bis(trifluoromethyl)-8aH-imidazo[1,5-a]pyridine
CID 12237711
3-tert-butyl-7-methyl-1,1-bis(trifluoromethyl)-8aH-imidazo[1,5-a]pyridine
CID 12237715
(2R)-2-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine
CID 101382454
(2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine
CID 101382455
7-Ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746973
2,8,16-Triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 21887742

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole?
The IUPAC name of 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole (CID 134852078) is 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole is FC(F)(F)C1=CC2C(C=C1)N=C1C=CC=CN12.
What is the InChIKey of 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole?
The InChIKey is TWIBSXIVFMCEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-12(14,15)8-4-5-9-10(7-8)17-6-2-1-3-11(17)16-9/h1-7,9-10H.
What are the key properties of 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole?
8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole has a molecular weight of 238.21 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 134852078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).