6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide

C17H14F2N8O2 — CID 156539275

IUPAC6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide
SMILESCN(C)C(=O)c1cc(Nc2ncc(-c3nnc(C(F)F)o3)cn2)cc2[nH]cnc12
InChIInChI=1S/C17H14F2N8O2/c1-27(2)16(28)10-3-9(4-11-12(10)23-7-22-11)24-17-20-5-8(6-21-17)14-25-26-15(29-14)13(18)19/h3-7,13H,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyPUJORCRZQLUNOP-UHFFFAOYSA-N
MW400.35 g/mol
LogP2.79
Rot. Bonds5

About 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide

6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide (PubChem CID 156539275) has the molecular formula C17H14F2N8O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide
PubChem CID156539275
Molecular FormulaC17H14F2N8O2
Molecular Weight400.35 g/mol
Exact Mass400.12
IUPAC Name6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide
SMILESCN(C)C(=O)c1cc(Nc2ncc(-c3nnc(C(F)F)o3)cn2)cc2[nH]cnc12
InChIInChI=1S/C17H14F2N8O2/c1-27(2)16(28)10-3-9(4-11-12(10)23-7-22-11)24-17-20-5-8(6-21-17)14-25-26-15(29-14)13(18)19/h3-7,13H,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyPUJORCRZQLUNOP-UHFFFAOYSA-N
XLogP2.79
TPSA125.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide (CID 156539275) is 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide is CN(C)C(=O)c1cc(Nc2ncc(-c3nnc(C(F)F)o3)cn2)cc2[nH]cnc12.
What is the InChIKey of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide?
The InChIKey is PUJORCRZQLUNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N8O2/c1-27(2)16(28)10-3-9(4-11-12(10)23-7-22-11)24-17-20-5-8(6-21-17)14-25-26-15(29-14)13(18)19/h3-7,13H,1-2H3,(H,22,23)(H,20,21,24).
What are the key properties of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide?
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide has a molecular weight of 400.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 156539275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).