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6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one

C21H22F2N4O2 — CID 154948653

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

IUPAC6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(C1CCCC(=O)N1)n2C1CC(F)(F)C1
InChIInChI=1S/C21H22F2N4O2/c1-11-19(12(2)29-26-11)13-6-7-17-16(8-13)25-20(15-4-3-5-18(28)24-15)27(17)14-9-21(22,23)10-14/h6-8,14-15H,3-5,9-10H2,1-2H3,(H,24,28)
InChIKeyKFATVSMVJBOFLA-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.62
Rot. Bonds3

About 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one

6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one (PubChem CID 154948653) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
PubChem CID154948653
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(C1CCCC(=O)N1)n2C1CC(F)(F)C1
InChIInChI=1S/C21H22F2N4O2/c1-11-19(12(2)29-26-11)13-6-7-17-16(8-13)25-20(15-4-3-5-18(28)24-15)27(17)14-9-21(22,23)10-14/h6-8,14-15H,3-5,9-10H2,1-2H3,(H,24,28)
InChIKeyKFATVSMVJBOFLA-UHFFFAOYSA-N
XLogP4.62
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one?
The IUPAC name of 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one (CID 154948653) is 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one.
What is the SMILES notation for 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one?
The canonical SMILES for 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one is Cc1noc(C)c1-c1ccc2c(c1)nc(C1CCCC(=O)N1)n2C1CC(F)(F)C1.
What is the InChIKey of 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one?
The InChIKey is KFATVSMVJBOFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-11-19(12(2)29-26-11)13-6-7-17-16(8-13)25-20(15-4-3-5-18(28)24-15)27(17)14-9-21(22,23)10-14/h6-8,14-15H,3-5,9-10H2,1-2H3,(H,24,28).
What are the key properties of 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one?
6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one has a molecular weight of 400.43 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one is sourced from PubChem (CID 154948653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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