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3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide

C19H26FN3O2 — CID 129064921

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide
SMILESCCC(O)(CF)CC(=O)Nc1nc2ccc(C)cc2n1C1(C)CCC1
InChIInChI=1S/C19H26FN3O2/c1-4-19(25,12-20)11-16(24)22-17-21-14-7-6-13(2)10-15(14)23(17)18(3)8-5-9-18/h6-7,10,25H,4-5,8-9,11-12H2,1-3H3,(H,21,22,24)
InChIKeyJGGVKQKTOVKJIW-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.68
Rot. Bonds6

About 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide

3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide (PubChem CID 129064921) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide.

Molecular Properties

Compound Name3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide
PubChem CID129064921
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide
SMILESCCC(O)(CF)CC(=O)Nc1nc2ccc(C)cc2n1C1(C)CCC1
InChIInChI=1S/C19H26FN3O2/c1-4-19(25,12-20)11-16(24)22-17-21-14-7-6-13(2)10-15(14)23(17)18(3)8-5-9-18/h6-7,10,25H,4-5,8-9,11-12H2,1-3H3,(H,21,22,24)
InChIKeyJGGVKQKTOVKJIW-UHFFFAOYSA-N
XLogP3.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide?
The IUPAC name of 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide (CID 129064921) is 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide.
What is the SMILES notation for 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide?
The canonical SMILES for 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide is CCC(O)(CF)CC(=O)Nc1nc2ccc(C)cc2n1C1(C)CCC1.
What is the InChIKey of 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide?
The InChIKey is JGGVKQKTOVKJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-4-19(25,12-20)11-16(24)22-17-21-14-7-6-13(2)10-15(14)23(17)18(3)8-5-9-18/h6-7,10,25H,4-5,8-9,11-12H2,1-3H3,(H,21,22,24).
What are the key properties of 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide?
3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide has a molecular weight of 347.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide is sourced from PubChem (CID 129064921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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