N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide

C23H23FN4O2 — CID 118938291

IUPACN-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide
SMILESCc1cc2nc(NC(=O)CC(C)(O)c3ccc(F)cc3)n(C3CCC3)c2cc1C#N
InChIInChI=1S/C23H23FN4O2/c1-14-10-19-20(11-15(14)13-25)28(18-4-3-5-18)22(26-19)27-21(29)12-23(2,30)16-6-8-17(24)9-7-16/h6-11,18,30H,3-5,12H2,1-2H3,(H,26,27,29)
InChIKeyZOMPCYBZKLWICF-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.32
Rot. Bonds5

About N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide

N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide (PubChem CID 118938291) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide.

Molecular Properties

Compound NameN-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide
PubChem CID118938291
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide
SMILESCc1cc2nc(NC(=O)CC(C)(O)c3ccc(F)cc3)n(C3CCC3)c2cc1C#N
InChIInChI=1S/C23H23FN4O2/c1-14-10-19-20(11-15(14)13-25)28(18-4-3-5-18)22(26-19)27-21(29)12-23(2,30)16-6-8-17(24)9-7-16/h6-11,18,30H,3-5,12H2,1-2H3,(H,26,27,29)
InChIKeyZOMPCYBZKLWICF-UHFFFAOYSA-N
XLogP4.32
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide?
The IUPAC name of N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide (CID 118938291) is N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide.
What is the SMILES notation for N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide?
The canonical SMILES for N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide is Cc1cc2nc(NC(=O)CC(C)(O)c3ccc(F)cc3)n(C3CCC3)c2cc1C#N.
What is the InChIKey of N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide?
The InChIKey is ZOMPCYBZKLWICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-14-10-19-20(11-15(14)13-25)28(18-4-3-5-18)22(26-19)27-21(29)12-23(2,30)16-6-8-17(24)9-7-16/h6-11,18,30H,3-5,12H2,1-2H3,(H,26,27,29).
What are the key properties of N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide?
N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide has a molecular weight of 406.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1-cyclobutyl-5-methylbenzimidazol-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide is sourced from PubChem (CID 118938291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).