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

C21H30FN3O2 — CID 129064823

IUPACN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide
SMILESCCC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1
InChIInChI=1S/C21H30FN3O2/c1-6-20(2,3)12-17(26)23-19-24-18-15(22)10-13(21(4,5)27)11-16(18)25(19)14-8-7-9-14/h10-11,14,27H,6-9,12H2,1-5H3,(H,23,24,26)
InChIKeyGZRADJRQFOLCIC-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.89
Rot. Bonds6

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

N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide (PubChem CID 129064823) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide
PubChem CID129064823
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide
SMILESCCC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1
InChIInChI=1S/C21H30FN3O2/c1-6-20(2,3)12-17(26)23-19-24-18-15(22)10-13(21(4,5)27)11-16(18)25(19)14-8-7-9-14/h10-11,14,27H,6-9,12H2,1-5H3,(H,23,24,26)
InChIKeyGZRADJRQFOLCIC-UHFFFAOYSA-N
XLogP4.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide?
The IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide (CID 129064823) is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide.
What is the SMILES notation for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide?
The canonical SMILES for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide is CCC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide?
The InChIKey is GZRADJRQFOLCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-6-20(2,3)12-17(26)23-19-24-18-15(22)10-13(21(4,5)27)11-16(18)25(19)14-8-7-9-14/h10-11,14,27H,6-9,12H2,1-5H3,(H,23,24,26).
What are the key properties of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide?
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide has a molecular weight of 375.49 g/mol, XLogP of 4.89, 6 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]-3,3-dimethylpentanamide is sourced from PubChem (CID 129064823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).