N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C20H24F2N4O2 — CID 139487152

IUPACN-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2c(OC(F)F)cc(C#N)cc2n1C1(C)CCC1
InChIInChI=1S/C20H24F2N4O2/c1-19(2,3)10-15(27)24-18-25-16-13(26(18)20(4)6-5-7-20)8-12(11-23)9-14(16)28-17(21)22/h8-9,17H,5-7,10H2,1-4H3,(H,24,25,27)
InChIKeyNRLWLIWXRLFSAO-UHFFFAOYSA-N
MW390.43 g/mol
LogP4.78
Rot. Bonds5

About N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 139487152) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID139487152
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC NameN-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2c(OC(F)F)cc(C#N)cc2n1C1(C)CCC1
InChIInChI=1S/C20H24F2N4O2/c1-19(2,3)10-15(27)24-18-25-16-13(26(18)20(4)6-5-7-20)8-12(11-23)9-14(16)28-17(21)22/h8-9,17H,5-7,10H2,1-4H3,(H,24,25,27)
InChIKeyNRLWLIWXRLFSAO-UHFFFAOYSA-N
XLogP4.78
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide 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 N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 139487152) is N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2c(OC(F)F)cc(C#N)cc2n1C1(C)CCC1.
What is the InChIKey of N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is NRLWLIWXRLFSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-19(2,3)10-15(27)24-18-25-16-13(26(18)20(4)6-5-7-20)8-12(11-23)9-14(16)28-17(21)22/h8-9,17H,5-7,10H2,1-4H3,(H,24,25,27).
What are the key properties of N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 390.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-4-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 139487152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).