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

C18H23F2N3O2 — CID 139487073

IUPACN-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1CCC1
InChIInChI=1S/C18H23F2N3O2/c1-18(2,3)10-15(24)22-17-21-13-8-7-12(25-16(19)20)9-14(13)23(17)11-5-4-6-11/h7-9,11,16H,4-6,10H2,1-3H3,(H,21,22,24)
InChIKeyBBGXGHWAYJFGKB-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.74
Rot. Bonds5

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

N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 139487073) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID139487073
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1CCC1
InChIInChI=1S/C18H23F2N3O2/c1-18(2,3)10-15(24)22-17-21-13-8-7-12(25-16(19)20)9-14(13)23(17)11-5-4-6-11/h7-9,11,16H,4-6,10H2,1-3H3,(H,21,22,24)
InChIKeyBBGXGHWAYJFGKB-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-methyl-2-[3-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568471
N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568562
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
1-Benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole
CID 10543852
3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135401217

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 139487073) is N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is BBGXGHWAYJFGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-18(2,3)10-15(24)22-17-21-13-8-7-12(25-16(19)20)9-14(13)23(17)11-5-4-6-11/h7-9,11,16H,4-6,10H2,1-3H3,(H,21,22,24).
What are the key properties of N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 351.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-6-(difluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 139487073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).