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

C20H26FN3O2 — CID 139487147

IUPACN-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C3(F)COC3)cc2n1C1CCC1
InChIInChI=1S/C20H26FN3O2/c1-19(2,3)10-17(25)23-18-22-15-8-7-13(20(21)11-26-12-20)9-16(15)24(18)14-5-4-6-14/h7-9,14H,4-6,10-12H2,1-3H3,(H,22,23,25)
InChIKeyQGRFGXOJUNILQQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.33
Rot. Bonds4

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

N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 139487147) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID139487147
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C3(F)COC3)cc2n1C1CCC1
InChIInChI=1S/C20H26FN3O2/c1-19(2,3)10-17(25)23-18-22-15-8-7-13(20(21)11-26-12-20)9-16(15)24(18)14-5-4-6-14/h7-9,14H,4-6,10-12H2,1-3H3,(H,22,23,25)
InChIKeyQGRFGXOJUNILQQ-UHFFFAOYSA-N
XLogP4.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 139487147) is N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(C3(F)COC3)cc2n1C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is QGRFGXOJUNILQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-19(2,3)10-17(25)23-18-22-15-8-7-13(20(21)11-26-12-20)9-16(15)24(18)14-5-4-6-14/h7-9,14H,4-6,10-12H2,1-3H3,(H,22,23,25).
What are the key properties of N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 359.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 139487147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).