N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide

C23H33N3O3 — CID 118938346

IUPACN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
SMILESCC1(C)CCC[C@@H](CC(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)O1
InChIInChI=1S/C23H33N3O3/c1-22(2)12-6-9-17(29-22)14-20(27)25-21-24-18-11-10-15(23(3,4)28)13-19(18)26(21)16-7-5-8-16/h10-11,13,16-17,28H,5-9,12,14H2,1-4H3,(H,24,25,27)/t17-/m0/s1
InChIKeyVICWVXDHWNCIIV-KRWDZBQOSA-N
MW399.54 g/mol
LogP4.66
Rot. Bonds5

About N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide

N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide (PubChem CID 118938346) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
PubChem CID118938346
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
SMILESCC1(C)CCC[C@@H](CC(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)O1
InChIInChI=1S/C23H33N3O3/c1-22(2)12-6-9-17(29-22)14-20(27)25-21-24-18-11-10-15(23(3,4)28)13-19(18)26(21)16-7-5-8-16/h10-11,13,16-17,28H,5-9,12,14H2,1-4H3,(H,24,25,27)/t17-/m0/s1
InChIKeyVICWVXDHWNCIIV-KRWDZBQOSA-N
XLogP4.66
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
The IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide (CID 118938346) is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide.
What is the SMILES notation for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
The canonical SMILES for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide is CC1(C)CCC[C@@H](CC(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)O1.
What is the InChIKey of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
The InChIKey is VICWVXDHWNCIIV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-22(2)12-6-9-17(29-22)14-20(27)25-21-24-18-11-10-15(23(3,4)28)13-19(18)26(21)16-7-5-8-16/h10-11,13,16-17,28H,5-9,12,14H2,1-4H3,(H,24,25,27)/t17-/m0/s1.
What are the key properties of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide?
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide is sourced from PubChem (CID 118938346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).