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

C21H28FN3O2 — CID 129064817

IUPACN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide
SMILESCC1(CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)CCC1
InChIInChI=1S/C21H28FN3O2/c1-20(2,27)13-10-15(22)18-16(11-13)25(14-6-4-7-14)19(24-18)23-17(26)12-21(3)8-5-9-21/h10-11,14,27H,4-9,12H2,1-3H3,(H,23,24,26)
InChIKeyDPXLAXLHHDHWGY-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.65
Rot. Bonds5

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

N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide (PubChem CID 129064817) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide
PubChem CID129064817
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide
SMILESCC1(CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)CCC1
InChIInChI=1S/C21H28FN3O2/c1-20(2,27)13-10-15(22)18-16(11-13)25(14-6-4-7-14)19(24-18)23-17(26)12-21(3)8-5-9-21/h10-11,14,27H,4-9,12H2,1-3H3,(H,23,24,26)
InChIKeyDPXLAXLHHDHWGY-UHFFFAOYSA-N
XLogP4.65
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-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-(1-methylcyclobutyl)acetamide?
The IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide (CID 129064817) is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide.
What is the SMILES notation for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide?
The canonical SMILES for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide is CC1(CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)CCC1.
What is the InChIKey of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide?
The InChIKey is DPXLAXLHHDHWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-20(2,27)13-10-15(22)18-16(11-13)25(14-6-4-7-14)19(24-18)23-17(26)12-21(3)8-5-9-21/h10-11,14,27H,4-9,12H2,1-3H3,(H,23,24,26).
What are the key properties of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide?
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide has a molecular weight of 373.47 g/mol, XLogP of 4.65, 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-(1-methylcyclobutyl)acetamide is sourced from PubChem (CID 129064817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).