N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide

C26H32FN3O2 — CID 129064828

IUPACN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide
SMILESCc1ccc(C(C)(C)CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)cc1
InChIInChI=1S/C26H32FN3O2/c1-16-9-11-17(12-10-16)25(2,3)15-22(31)28-24-29-23-20(27)13-18(26(4,5)32)14-21(23)30(24)19-7-6-8-19/h9-14,19,32H,6-8,15H2,1-5H3,(H,28,29,31)
InChIKeyDWUHKMFQKYNSTH-UHFFFAOYSA-N
MW437.56 g/mol
LogP5.74
Rot. Bonds6

About N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide

N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide (PubChem CID 129064828) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide
PubChem CID129064828
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide
SMILESCc1ccc(C(C)(C)CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)cc1
InChIInChI=1S/C26H32FN3O2/c1-16-9-11-17(12-10-16)25(2,3)15-22(31)28-24-29-23-20(27)13-18(26(4,5)32)14-21(23)30(24)19-7-6-8-19/h9-14,19,32H,6-8,15H2,1-5H3,(H,28,29,31)
InChIKeyDWUHKMFQKYNSTH-UHFFFAOYSA-N
XLogP5.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.56
LogP ≤ 55.74
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-methyl-3-(4-methylphenyl)butanamide?
The IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide (CID 129064828) is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide?
The canonical SMILES for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide is Cc1ccc(C(C)(C)CC(=O)Nc2nc3c(F)cc(C(C)(C)O)cc3n2C2CCC2)cc1.
What is the InChIKey of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide?
The InChIKey is DWUHKMFQKYNSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-16-9-11-17(12-10-16)25(2,3)15-22(31)28-24-29-23-20(27)13-18(26(4,5)32)14-21(23)30(24)19-7-6-8-19/h9-14,19,32H,6-8,15H2,1-5H3,(H,28,29,31).
What are the key properties of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide?
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-methyl-3-(4-methylphenyl)butanamide has a molecular weight of 437.56 g/mol, XLogP of 5.74, 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-methyl-3-(4-methylphenyl)butanamide is sourced from PubChem (CID 129064828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).