N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide

C23H23FN4O2 — CID 118938252

IUPACN-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(C#N)cc2n1C1(C)CCC1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2/c1-22(10-3-11-22)28-19-12-15(14-25)4-9-18(19)26-21(28)27-20(29)13-23(2,30)16-5-7-17(24)8-6-16/h4-9,12,30H,3,10-11,13H2,1-2H3,(H,26,27,29)
InChIKeyLTZNCUQIJSKSIT-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.18
Rot. Bonds5

About N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide

N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide (PubChem CID 118938252) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide
PubChem CID118938252
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(C#N)cc2n1C1(C)CCC1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2/c1-22(10-3-11-22)28-19-12-15(14-25)4-9-18(19)26-21(28)27-20(29)13-23(2,30)16-5-7-17(24)8-6-16/h4-9,12,30H,3,10-11,13H2,1-2H3,(H,26,27,29)
InChIKeyLTZNCUQIJSKSIT-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-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide?
The IUPAC name of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide (CID 118938252) is N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide.
What is the SMILES notation for N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide?
The canonical SMILES for N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide is CC(O)(CC(=O)Nc1nc2ccc(C#N)cc2n1C1(C)CCC1)c1ccc(F)cc1.
What is the InChIKey of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide?
The InChIKey is LTZNCUQIJSKSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-22(10-3-11-22)28-19-12-15(14-25)4-9-18(19)26-21(28)27-20(29)13-23(2,30)16-5-7-17(24)8-6-16/h4-9,12,30H,3,10-11,13H2,1-2H3,(H,26,27,29).
What are the key properties of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide?
N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide 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-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide is sourced from PubChem (CID 118938252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).