N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C20H28FN3O2 — CID 129064807

IUPACN-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2cc(F)c(C(C)(C)O)cc2n1C1CCC1
InChIInChI=1S/C20H28FN3O2/c1-19(2,3)11-17(25)23-18-22-15-10-14(21)13(20(4,5)26)9-16(15)24(18)12-7-6-8-12/h9-10,12,26H,6-8,11H2,1-5H3,(H,22,23,25)
InChIKeyVAAJRNNIMCEVAW-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.50
Rot. Bonds4

About N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 129064807) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID129064807
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2cc(F)c(C(C)(C)O)cc2n1C1CCC1
InChIInChI=1S/C20H28FN3O2/c1-19(2,3)11-17(25)23-18-22-15-10-14(21)13(20(4,5)26)9-16(15)24(18)12-7-6-8-12/h9-10,12,26H,6-8,11H2,1-5H3,(H,22,23,25)
InChIKeyVAAJRNNIMCEVAW-UHFFFAOYSA-N
XLogP4.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 129064807) is N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2cc(F)c(C(C)(C)O)cc2n1C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is VAAJRNNIMCEVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-19(2,3)11-17(25)23-18-22-15-10-14(21)13(20(4,5)26)9-16(15)24(18)12-7-6-8-12/h9-10,12,26H,6-8,11H2,1-5H3,(H,22,23,25).
What are the key properties of N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 361.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 129064807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).