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

C18H25F2N3O2 — CID 139487139

IUPACN-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C(C)(C)C
InChIInChI=1S/C18H25F2N3O2/c1-17(2,3)10-14(24)22-16-21-12-8-7-11(25-15(19)20)9-13(12)23(16)18(4,5)6/h7-9,15H,10H2,1-6H3,(H,21,22,24)
InChIKeyOGEVHFFBQAWOAK-UHFFFAOYSA-N
MW353.41 g/mol
LogP4.77
Rot. Bonds4

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

N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 139487139) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID139487139
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC NameN-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C(C)(C)C
InChIInChI=1S/C18H25F2N3O2/c1-17(2,3)10-14(24)22-16-21-12-8-7-11(25-15(19)20)9-13(12)23(16)18(4,5)6/h7-9,15H,10H2,1-6H3,(H,21,22,24)
InChIKeyOGEVHFFBQAWOAK-UHFFFAOYSA-N
XLogP4.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxibendazole
CID 4622
5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
N-[3-(2-ethoxy-6-methoxybenzimidazol-1-yl)propyl]acetamide
CID 139451761
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide
CID 139451763
N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451767
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide
CID 139451769
N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
CID 139451776
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 139451780
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451795
N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide
CID 139451799
N-1H-benzimidazol-2-yl-N-(4-methoxyphenyl)acetamide
CID 614315
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
CID 872164

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 139487139) is N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C(C)(C)C.
What is the InChIKey of N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is OGEVHFFBQAWOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-17(2,3)10-14(24)22-16-21-12-8-7-11(25-15(19)20)9-13(12)23(16)18(4,5)6/h7-9,15H,10H2,1-6H3,(H,21,22,24).
What are the key properties of N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 353.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 139487139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).