N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

C19H15ClF3N3O — CID 113200877

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C19H15ClF3N3O/c20-12-5-7-14(13(10-12)19(21,22)23)25-18(27)11-4-6-15-16(9-11)26-8-2-1-3-17(26)24-15/h1-3,5,7-8,10-11H,4,6,9H2,(H,25,27)
InChIKeyGZQFCZBRVWPFGU-UHFFFAOYSA-N
MW393.80 g/mol
LogP4.75
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113200877) has the molecular formula C19H15ClF3N3O and a molecular weight of 393.80 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113200877
Molecular FormulaC19H15ClF3N3O
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C19H15ClF3N3O/c20-12-5-7-14(13(10-12)19(21,22)23)25-18(27)11-4-6-15-16(9-11)26-8-2-1-3-17(26)24-15/h1-3,5,7-8,10-11H,4,6,9H2,(H,25,27)
InChIKeyGZQFCZBRVWPFGU-UHFFFAOYSA-N
XLogP4.75
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200893
N-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207
N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200773
N-(4-ethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200833
N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200772
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
N-(4-bromo-2-methylphenyl)-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201235
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
CID 110690000
(3R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 40986066

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113200877) is N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCc2nc3ccccn3c2C1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is GZQFCZBRVWPFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O/c20-12-5-7-14(13(10-12)19(21,22)23)25-18(27)11-4-6-15-16(9-11)26-8-2-1-3-17(26)24-15/h1-3,5,7-8,10-11H,4,6,9H2,(H,25,27).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 393.80 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113200877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).