N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

C18H14F3N3O — CID 113200893

IUPACN-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C18H14F3N3O/c19-11-5-7-13(17(21)16(11)20)23-18(25)10-4-6-12-14(9-10)24-8-2-1-3-15(24)22-12/h1-3,5,7-8,10H,4,6,9H2,(H,23,25)
InChIKeyAULLVNDATPDUCK-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.50
Rot. Bonds2

About N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113200893) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113200893
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC NameN-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C18H14F3N3O/c19-11-5-7-13(17(21)16(11)20)23-18(25)10-4-6-12-14(9-10)24-8-2-1-3-15(24)22-12/h1-3,5,7-8,10H,4,6,9H2,(H,23,25)
InChIKeyAULLVNDATPDUCK-UHFFFAOYSA-N
XLogP3.50
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200877
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200838
N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200813
N-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
N-(5-methyl-1,2-oxazol-3-yl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200896
N-(4-ethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200833
N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200773
3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide
CID 171323930
N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200772
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200718
N-(4-bromo-2-methylphenyl)-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201235
N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201005

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113200893) is N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CCc2nc3ccccn3c2C1.
What is the InChIKey of N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is AULLVNDATPDUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-11-5-7-13(17(21)16(11)20)23-18(25)10-4-6-12-14(9-10)24-8-2-1-3-15(24)22-12/h1-3,5,7-8,10H,4,6,9H2,(H,23,25).
What are the key properties of N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113200893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).