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

C12H8F3N3 — CID 59053612

IUPAC9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine
SMILESNc1cc(C(F)(F)F)c2c(c1)nc1ccccn12
InChIInChI=1S/C12H8F3N3/c13-12(14,15)8-5-7(16)6-9-11(8)18-4-2-1-3-10(18)17-9/h1-6H,16H2
InChIKeyJCTLPYRBGGVREW-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.09
Rot. Bonds

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

9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine (PubChem CID 59053612) has the molecular formula C12H8F3N3 and a molecular weight of 251.21 g/mol. Its IUPAC name is 9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine.

Molecular Properties

Compound Name9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine
PubChem CID59053612
Molecular FormulaC12H8F3N3
Molecular Weight251.21 g/mol
Exact Mass251.07
IUPAC Name9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine
SMILESNc1cc(C(F)(F)F)c2c(c1)nc1ccccn12
InChIInChI=1S/C12H8F3N3/c13-12(14,15)8-5-7(16)6-9-11(8)18-4-2-1-3-10(18)17-9/h1-6H,16H2
InChIKeyJCTLPYRBGGVREW-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

7-(trifluoromethyl)pyrido[1,2-a]benzimidazol-9-amine
CID 91738636
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
6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole
CID 122229375
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
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridin-3-amine
CID 63619289
3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine
CID 130322168
9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde
CID 11264284
2-(2,4-difluorophenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 101404163
[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 118095083

Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine?
The IUPAC name of 9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine (CID 59053612) is 9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine.
What is the SMILES notation for 9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine?
The canonical SMILES for 9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine is Nc1cc(C(F)(F)F)c2c(c1)nc1ccccn12.
What is the InChIKey of 9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine?
The InChIKey is JCTLPYRBGGVREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3/c13-12(14,15)8-5-7(16)6-9-11(8)18-4-2-1-3-10(18)17-9/h1-6H,16H2.
What are the key properties of 9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine?
9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-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 9-(trifluoromethyl)pyrido[1,2-a]benzimidazol-7-amine is sourced from PubChem (CID 59053612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).