N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide

C21H27F2N3O2 — CID 129064809

IUPACN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide
SMILESCC1(F)CC(CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)C1
InChIInChI=1S/C21H27F2N3O2/c1-20(2,28)13-8-15(22)18-16(9-13)26(14-5-4-6-14)19(25-18)24-17(27)7-12-10-21(3,23)11-12/h8-9,12,14,28H,4-7,10-11H2,1-3H3,(H,24,25,27)
InChIKeyXACCMBZLBKBAIV-UHFFFAOYSA-N
MW391.46 g/mol
LogP4.59
Rot. Bonds5

About N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide

N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide (PubChem CID 129064809) has the molecular formula C21H27F2N3O2 and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide
PubChem CID129064809
Molecular FormulaC21H27F2N3O2
Molecular Weight391.46 g/mol
Exact Mass391.21
IUPAC NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide
SMILESCC1(F)CC(CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)C1
InChIInChI=1S/C21H27F2N3O2/c1-20(2,28)13-8-15(22)18-16(9-13)26(14-5-4-6-14)19(25-18)24-17(27)7-12-10-21(3,23)11-12/h8-9,12,14,28H,4-7,10-11H2,1-3H3,(H,24,25,27)
InChIKeyXACCMBZLBKBAIV-UHFFFAOYSA-N
XLogP4.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide 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-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide?
The IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide (CID 129064809) is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide.
What is the SMILES notation for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide?
The canonical SMILES for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide is CC1(F)CC(CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)C1.
What is the InChIKey of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide?
The InChIKey is XACCMBZLBKBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O2/c1-20(2,28)13-8-15(22)18-16(9-13)26(14-5-4-6-14)19(25-18)24-17(27)7-12-10-21(3,23)11-12/h8-9,12,14,28H,4-7,10-11H2,1-3H3,(H,24,25,27).
What are the key properties of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide?
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide has a molecular weight of 391.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 129064809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).