N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide

C23H23FN4O2 — CID 129075721

IUPACN-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide
SMILESCC1(n2c(NC(=O)CC(O)(CF)c3ccccc3)nc3ccc(C#N)cc32)CCC1
InChIInChI=1S/C23H23FN4O2/c1-22(10-5-11-22)28-19-12-16(14-25)8-9-18(19)26-21(28)27-20(29)13-23(30,15-24)17-6-3-2-4-7-17/h2-4,6-9,12,30H,5,10-11,13,15H2,1H3,(H,26,27,29)
InChIKeyHJDFCSFVVPYKQW-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.99
Rot. Bonds6

About N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide

N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide (PubChem CID 129075721) 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]-4-fluoro-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide
PubChem CID129075721
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide
SMILESCC1(n2c(NC(=O)CC(O)(CF)c3ccccc3)nc3ccc(C#N)cc32)CCC1
InChIInChI=1S/C23H23FN4O2/c1-22(10-5-11-22)28-19-12-16(14-25)8-9-18(19)26-21(28)27-20(29)13-23(30,15-24)17-6-3-2-4-7-17/h2-4,6-9,12,30H,5,10-11,13,15H2,1H3,(H,26,27,29)
InChIKeyHJDFCSFVVPYKQW-UHFFFAOYSA-N
XLogP3.99
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide (CID 129075721) is N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide is CC1(n2c(NC(=O)CC(O)(CF)c3ccccc3)nc3ccc(C#N)cc32)CCC1.
What is the InChIKey of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide?
The InChIKey is HJDFCSFVVPYKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-22(10-5-11-22)28-19-12-16(14-25)8-9-18(19)26-21(28)27-20(29)13-23(30,15-24)17-6-3-2-4-7-17/h2-4,6-9,12,30H,5,10-11,13,15H2,1H3,(H,26,27,29).
What are the key properties of N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide?
N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide has a molecular weight of 406.46 g/mol, XLogP of 3.99, 6 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]-4-fluoro-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 129075721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).