7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine

C12H8F3N3 — CID 91738636

IUPAC7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine
SMILESNc1cc(C(F)(F)F)cc2nc3ccccn3c12
InChIInChI=1S/C12H8F3N3/c13-12(14,15)7-5-8(16)11-9(6-7)17-10-3-1-2-4-18(10)11/h1-6H,16H2
InChIKeyWADSONKMGYJASA-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.09
Rot. Bonds

About 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine

7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine (PubChem CID 91738636) has the molecular formula C12H8F3N3 and a molecular weight of 251.21 g/mol. Its IUPAC name is 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine
PubChem CID91738636
Molecular FormulaC12H8F3N3
Molecular Weight251.21 g/mol
Exact Mass251.07
IUPAC Name7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine
SMILESNc1cc(C(F)(F)F)cc2nc3ccccn3c12
InChIInChI=1S/C12H8F3N3/c13-12(14,15)7-5-8(16)11-9(6-7)17-10-3-1-2-4-18(10)11/h1-6H,16H2
InChIKeyWADSONKMGYJASA-UHFFFAOYSA-N
XLogP3.09
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine
CID 59053612
2-(trifluoromethyl)pyrido[2,1-b]quinazolin-11-one
CID 132503374
7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol
CID 67301018
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468
2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518642
2-(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 155390432
2-pyrrol-1-yl-4-(trifluoromethyl)aniline
CID 131515735
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one
CID 7256665
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775157
2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 44820379
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylpyrazole-3-carbonitrile
CID 122210713
6-imidazo[1,2-a]pyridin-5-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102716937

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine?
The IUPAC name of 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine (CID 91738636) is 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine.
What is the SMILES notation for 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine?
The canonical SMILES for 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine is Nc1cc(C(F)(F)F)cc2nc3ccccn3c12.
What is the InChIKey of 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine?
The InChIKey is WADSONKMGYJASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3/c13-12(14,15)7-5-8(16)11-9(6-7)17-10-3-1-2-4-18(10)11/h1-6H,16H2.
What are the key properties of 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine?
7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine has a molecular weight of 251.21 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine is sourced from PubChem (CID 91738636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).