N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

C18H22F3N3O3 — CID 129064916

IUPACN-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1(C)CCC1
InChIInChI=1S/C18H22F3N3O3/c1-17(2,26)9-13(25)22-16-23-14-11(19)7-10(27-15(20)21)8-12(14)24(16)18(3)5-4-6-18/h7-8,15,26H,4-6,9H2,1-3H3,(H,22,23,25)
InChIKeyCJDDMBLVHLJUFE-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.78
Rot. Bonds6

About N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 129064916) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID129064916
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC NameN-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1(C)CCC1
InChIInChI=1S/C18H22F3N3O3/c1-17(2,26)9-13(25)22-16-23-14-11(19)7-10(27-15(20)21)8-12(14)24(16)18(3)5-4-6-18/h7-8,15,26H,4-6,9H2,1-3H3,(H,22,23,25)
InChIKeyCJDDMBLVHLJUFE-UHFFFAOYSA-N
XLogP3.78
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (CID 129064916) is N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)Nc1nc2c(F)cc(OC(F)F)cc2n1C1(C)CCC1.
What is the InChIKey of N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is CJDDMBLVHLJUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-17(2,26)9-13(25)22-16-23-14-11(19)7-10(27-15(20)21)8-12(14)24(16)18(3)5-4-6-18/h7-8,15,26H,4-6,9H2,1-3H3,(H,22,23,25).
What are the key properties of N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 385.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-4-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 129064916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).