2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

C15H19N3O2 — CID 114630853

IUPAC2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-15(2)12(7-13(15)19)17-14(20)8-18-9-16-10-5-3-4-6-11(10)18/h3-6,9,12-13,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyYSBKRFDIQAGGBB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.31
Rot. Bonds3

About 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (PubChem CID 114630853) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
PubChem CID114630853
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-15(2)12(7-13(15)19)17-14(20)8-18-9-16-10-5-3-4-6-11(10)18/h3-6,9,12-13,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyYSBKRFDIQAGGBB-UHFFFAOYSA-N
XLogP1.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114631328
2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide
CID 129449162
2-(benzimidazol-1-yl)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103279825
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
2-(benzimidazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62521113
2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65315452
2-(benzimidazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362366
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 114630924
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
CID 114631332
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630776
2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide
CID 51896536

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (CID 114630853) is 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is CC1(C)C(O)CC1NC(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The InChIKey is YSBKRFDIQAGGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2)12(7-13(15)19)17-14(20)8-18-9-16-10-5-3-4-6-11(10)18/h3-6,9,12-13,19H,7-8H2,1-2H3,(H,17,20).
What are the key properties of 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 114630853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).