6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine

C19H14F2N8O — CID 162722259

IUPAC6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)c3)cc2[nH]1
InChIInChI=1S/C19H14F2N8O/c20-16(21)18-28-27-17(30-18)11-1-3-13(23-6-11)9-29-8-12(7-24-29)10-2-4-14-15(5-10)26-19(22)25-14/h1-8,16H,9H2,(H3,22,25,26)
InChIKeyJZRXDLKTVXSFPF-UHFFFAOYSA-N
MW408.37 g/mol
LogP3.44
Rot. Bonds5

About 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine

6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine (PubChem CID 162722259) has the molecular formula C19H14F2N8O and a molecular weight of 408.37 g/mol. Its IUPAC name is 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine
PubChem CID162722259
Molecular FormulaC19H14F2N8O
Molecular Weight408.37 g/mol
Exact Mass408.13
IUPAC Name6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)c3)cc2[nH]1
InChIInChI=1S/C19H14F2N8O/c20-16(21)18-28-27-17(30-18)11-1-3-13(23-6-11)9-29-8-12(7-24-29)10-2-4-14-15(5-10)26-19(22)25-14/h1-8,16H,9H2,(H3,22,25,26)
InChIKeyJZRXDLKTVXSFPF-UHFFFAOYSA-N
XLogP3.44
TPSA124.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine with MolForge

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Related Compounds

Bms-645737
CID 22273644
N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162660174
N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22273633
6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44449577
5-(5-Phenethyl-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433214
5-(5-(2,4-Difluorophenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433261
6-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44449507
5-(5-(4-(Trifluoromethyl)phenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433259
5-[3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66555077
5-[3-[6-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 68356701
US10894784, Example 126.02
CID 129245246
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-amine
CID 162721877

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine (CID 162722259) is 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine is Nc1nc2ccc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)c3)cc2[nH]1.
What is the InChIKey of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine?
The InChIKey is JZRXDLKTVXSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N8O/c20-16(21)18-28-27-17(30-18)11-1-3-13(23-6-11)9-29-8-12(7-24-29)10-2-4-14-15(5-10)26-19(22)25-14/h1-8,16H,9H2,(H3,22,25,26).
What are the key properties of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine?
6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine has a molecular weight of 408.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 162722259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).