2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide

C23H19F3N6O2 — CID 58279227

IUPAC2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccnn1)c1cc(N2CCOCC2)cc2[nH]c(-c3cc(F)ccc3C(F)F)nc12
InChIInChI=1S/C23H19F3N6O2/c24-13-3-4-15(21(25)26)16(10-13)22-28-18-12-14(32-6-8-34-9-7-32)11-17(20(18)30-22)23(33)29-19-2-1-5-27-31-19/h1-5,10-12,21H,6-9H2,(H,28,30)(H,29,31,33)
InChIKeyPQUJFKUORTWHIX-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.19
Rot. Bonds5

About 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide

2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58279227) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
PubChem CID58279227
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccnn1)c1cc(N2CCOCC2)cc2[nH]c(-c3cc(F)ccc3C(F)F)nc12
InChIInChI=1S/C23H19F3N6O2/c24-13-3-4-15(21(25)26)16(10-13)22-28-18-12-14(32-6-8-34-9-7-32)11-17(20(18)30-22)23(33)29-19-2-1-5-27-31-19/h1-5,10-12,21H,6-9H2,(H,28,30)(H,29,31,33)
InChIKeyPQUJFKUORTWHIX-UHFFFAOYSA-N
XLogP4.19
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-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-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58278778
2-[2-(difluoromethyl)-5-fluorophenyl]-6-fluoro-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279284
2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279370
2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279038
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-pyridin-3-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 58279287
2-[2-(difluoromethyl)-4-pyrrolidin-1-ylphenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279318
2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279324
2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279406
2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279447
2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278902
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004
2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 58278746

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide (CID 58279227) is 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide is O=C(Nc1cccnn1)c1cc(N2CCOCC2)cc2[nH]c(-c3cc(F)ccc3C(F)F)nc12.
What is the InChIKey of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is PQUJFKUORTWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c24-13-3-4-15(21(25)26)16(10-13)22-28-18-12-14(32-6-8-34-9-7-32)11-17(20(18)30-22)23(33)29-19-2-1-5-27-31-19/h1-5,10-12,21H,6-9H2,(H,28,30)(H,29,31,33).
What are the key properties of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide?
2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).