3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

C19H14F3N3O2 — CID 135819086

IUPAC3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1=C(O)CCn2c1nc1ccccc12
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)11-5-1-2-6-12(11)24-18(27)16-15(26)9-10-25-14-8-4-3-7-13(14)23-17(16)25/h1-8,26H,9-10H2,(H,24,27)
InChIKeyCVNBTGBIZBSFJY-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.37
Rot. Bonds2

About 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135819086) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135819086
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1=C(O)CCn2c1nc1ccccc12
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)11-5-1-2-6-12(11)24-18(27)16-15(26)9-10-25-14-8-4-3-7-13(14)23-17(16)25/h1-8,26H,9-10H2,(H,24,27)
InChIKeyCVNBTGBIZBSFJY-UHFFFAOYSA-N
XLogP4.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 38094667
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124815123
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
CID 110692630
2-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297596
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109360904

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (CID 135819086) is 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1=C(O)CCn2c1nc1ccccc12.
What is the InChIKey of 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is CVNBTGBIZBSFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)11-5-1-2-6-12(11)24-18(27)16-15(26)9-10-25-14-8-4-3-7-13(14)23-17(16)25/h1-8,26H,9-10H2,(H,24,27).
What are the key properties of 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135819086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).