N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide

C18H24FN3O2 — CID 139487116

IUPACN-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCOc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C18H24FN3O2/c1-18(2,3)10-15(23)20-17-21-16-13(19)8-12(24-4)9-14(16)22(17)11-6-5-7-11/h8-9,11H,5-7,10H2,1-4H3,(H,20,21,23)
InChIKeyHEKPVAAVIIRJQW-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.28
Rot. Bonds4

About N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide

N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 139487116) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide
PubChem CID139487116
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCOc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C18H24FN3O2/c1-18(2,3)10-15(23)20-17-21-16-13(19)8-12(24-4)9-14(16)22(17)11-6-5-7-11/h8-9,11H,5-7,10H2,1-4H3,(H,20,21,23)
InChIKeyHEKPVAAVIIRJQW-UHFFFAOYSA-N
XLogP4.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide 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-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide (CID 139487116) is N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide is COc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.
What is the InChIKey of N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is HEKPVAAVIIRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-18(2,3)10-15(23)20-17-21-16-13(19)8-12(24-4)9-14(16)22(17)11-6-5-7-11/h8-9,11H,5-7,10H2,1-4H3,(H,20,21,23).
What are the key properties of N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide?
N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 333.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-4-fluoro-6-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 139487116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).