6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole

C19H11F3N4 — CID 122229375

IUPAC6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole
SMILESFC(F)(F)c1ccc(-n2cnc3ccccc32)c2nc3ccccn3c12
InChIInChI=1S/C19H11F3N4/c20-19(21,22)12-8-9-15(26-11-23-13-5-1-2-6-14(13)26)17-18(12)25-10-4-3-7-16(25)24-17/h1-11H
InChIKeyLSWKYDJVVXKKRG-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.85
Rot. Bonds1

About 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole

6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole (PubChem CID 122229375) has the molecular formula C19H11F3N4 and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole
PubChem CID122229375
Molecular FormulaC19H11F3N4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole
SMILESFC(F)(F)c1ccc(-n2cnc3ccccc32)c2nc3ccccn3c12
InChIInChI=1S/C19H11F3N4/c20-19(21,22)12-8-9-15(26-11-23-13-5-1-2-6-14(13)26)17-18(12)25-10-4-3-7-16(25)24-17/h1-11H
InChIKeyLSWKYDJVVXKKRG-UHFFFAOYSA-N
XLogP4.85
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
CID 138526953
4-(benzimidazol-1-yl)-2H-benzotriazole
CID 139651925
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CID 59053612
1-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 140643375
1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazole
CID 58978587
3-(benzimidazol-1-yl)naphthalen-2-ol
CID 57307843
[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
CID 75529767
1-(2-ethylphenyl)benzimidazole
CID 22078308
(1S)-1-[2-(benzimidazol-1-yl)phenyl]ethanol
CID 78941271
[2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine
CID 79516380
4-(benzimidazol-1-yl)-2-chloro-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 22996172
1-(2,3-dichlorophenyl)benzimidazole
CID 42636654

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole?
The IUPAC name of 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole (CID 122229375) is 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole.
What is the SMILES notation for 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole?
The canonical SMILES for 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole is FC(F)(F)c1ccc(-n2cnc3ccccc32)c2nc3ccccn3c12.
What is the InChIKey of 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole?
The InChIKey is LSWKYDJVVXKKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4/c20-19(21,22)12-8-9-15(26-11-23-13-5-1-2-6-14(13)26)17-18(12)25-10-4-3-7-16(25)24-17/h1-11H.
What are the key properties of 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole?
6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole has a molecular weight of 352.32 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 122229375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).