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

C19H25F2N3O2 — CID 139487189

IUPACN-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1
InChIInChI=1S/C19H25F2N3O2/c1-18(2,3)11-15(25)23-17-22-13-7-6-12(26-16(20)21)10-14(13)24(17)19(4)8-5-9-19/h6-7,10,16H,5,8-9,11H2,1-4H3,(H,22,23,25)
InChIKeyIWIMPKUHVXNIKO-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.91
Rot. Bonds5

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

N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 139487189) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID139487189
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC NameN-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1
InChIInChI=1S/C19H25F2N3O2/c1-18(2,3)11-15(25)23-17-22-13-7-6-12(26-16(20)21)10-14(13)24(17)19(4)8-5-9-19/h6-7,10,16H,5,8-9,11H2,1-4H3,(H,22,23,25)
InChIKeyIWIMPKUHVXNIKO-UHFFFAOYSA-N
XLogP4.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.91
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]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 139487189) is N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1.
What is the InChIKey of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is IWIMPKUHVXNIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-18(2,3)11-15(25)23-17-22-13-7-6-12(26-16(20)21)10-14(13)24(17)19(4)8-5-9-19/h6-7,10,16H,5,8-9,11H2,1-4H3,(H,22,23,25).
What are the key properties of N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[6-(difluoromethoxy)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 365.42 g/mol, XLogP of 4.91, 5 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 139487189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).