N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide

C23H23FN4O2 — CID 139487111

IUPACN-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1nc2cc(F)cc(C#N)c2n1C1(C)CCC1)c1ccccc1
InChIInChI=1S/C23H23FN4O2/c1-22(9-6-10-22)28-20-15(14-25)11-17(24)12-18(20)26-21(28)27-19(29)13-23(2,30)16-7-4-3-5-8-16/h3-5,7-8,11-12,30H,6,9-10,13H2,1-2H3,(H,26,27,29)
InChIKeyOVIOAGFGEKOCKD-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.18
Rot. Bonds5

About N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide

N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide (PubChem CID 139487111) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
PubChem CID139487111
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1nc2cc(F)cc(C#N)c2n1C1(C)CCC1)c1ccccc1
InChIInChI=1S/C23H23FN4O2/c1-22(9-6-10-22)28-20-15(14-25)11-17(24)12-18(20)26-21(28)27-19(29)13-23(2,30)16-7-4-3-5-8-16/h3-5,7-8,11-12,30H,6,9-10,13H2,1-2H3,(H,26,27,29)
InChIKeyOVIOAGFGEKOCKD-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide (CID 139487111) is N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)Nc1nc2cc(F)cc(C#N)c2n1C1(C)CCC1)c1ccccc1.
What is the InChIKey of N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is OVIOAGFGEKOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-22(9-6-10-22)28-20-15(14-25)11-17(24)12-18(20)26-21(28)27-19(29)13-23(2,30)16-7-4-3-5-8-16/h3-5,7-8,11-12,30H,6,9-10,13H2,1-2H3,(H,26,27,29).
What are the key properties of N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide?
N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 406.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 139487111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).