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

C19H22F5N3O2 — CID 139487092

IUPACN-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC1(n2c(NC(=O)CC(C)(C)C(F)(F)F)nc3ccc(OC(F)F)cc32)CCC1
InChIInChI=1S/C19H22F5N3O2/c1-17(2,19(22,23)24)10-14(28)26-16-25-12-6-5-11(29-15(20)21)9-13(12)27(16)18(3)7-4-8-18/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,25,26,28)
InChIKeyRANUTEYSENXCOT-UHFFFAOYSA-N
MW419.39 g/mol
LogP5.45
Rot. Bonds6

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

N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide (PubChem CID 139487092) has the molecular formula C19H22F5N3O2 and a molecular weight of 419.39 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
PubChem CID139487092
Molecular FormulaC19H22F5N3O2
Molecular Weight419.39 g/mol
Exact Mass419.16
IUPAC NameN-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC1(n2c(NC(=O)CC(C)(C)C(F)(F)F)nc3ccc(OC(F)F)cc32)CCC1
InChIInChI=1S/C19H22F5N3O2/c1-17(2,19(22,23)24)10-14(28)26-16-25-12-6-5-11(29-15(20)21)9-13(12)27(16)18(3)7-4-8-18/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,25,26,28)
InChIKeyRANUTEYSENXCOT-UHFFFAOYSA-N
XLogP5.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.39
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The IUPAC name of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide (CID 139487092) is N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide is CC1(n2c(NC(=O)CC(C)(C)C(F)(F)F)nc3ccc(OC(F)F)cc32)CCC1.
What is the InChIKey of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The InChIKey is RANUTEYSENXCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F5N3O2/c1-17(2,19(22,23)24)10-14(28)26-16-25-12-6-5-11(29-15(20)21)9-13(12)27(16)18(3)7-4-8-18/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,25,26,28).
What are the key properties of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide has a molecular weight of 419.39 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide is sourced from PubChem (CID 139487092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).