6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide

C25H16F3N5O2 — CID 44530820

IUPAC6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C25H16F3N5O2/c26-25(27,28)17-7-8-19-21(13-17)31-23(30-19)16-5-1-3-14(11-16)15-4-2-6-18(12-15)29-24(35)20-9-10-22(34)33-32-20/h1-13H,(H,29,35)(H,30,31)(H,33,34)
InChIKeyLIQUPRLGDRNHDF-UHFFFAOYSA-N
MW475.43 g/mol
LogP5.25
Rot. Bonds4

About 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide (PubChem CID 44530820) has the molecular formula C25H16F3N5O2 and a molecular weight of 475.43 g/mol. Its IUPAC name is 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide
PubChem CID44530820
Molecular FormulaC25H16F3N5O2
Molecular Weight475.43 g/mol
Exact Mass475.13
IUPAC Name6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C25H16F3N5O2/c26-25(27,28)17-7-8-19-21(13-17)31-23(30-19)16-5-1-3-14(11-16)15-4-2-6-18(12-15)29-24(35)20-9-10-22(34)33-32-20/h1-13H,(H,29,35)(H,30,31)(H,33,34)
InChIKeyLIQUPRLGDRNHDF-UHFFFAOYSA-N
XLogP5.25
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide (CID 44530820) is 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide is O=C(Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide?
The InChIKey is LIQUPRLGDRNHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N5O2/c26-25(27,28)17-7-8-19-21(13-17)31-23(30-19)16-5-1-3-14(11-16)15-4-2-6-18(12-15)29-24(35)20-9-10-22(34)33-32-20/h1-13H,(H,29,35)(H,30,31)(H,33,34).
What are the key properties of 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 5.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 44530820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).