N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide

C19H27N3O2 — CID 118938286

IUPACN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CCC1
InChIInChI=1S/C19H27N3O2/c1-18(2,3)16(23)21-17-20-14-10-9-12(19(4,5)24)11-15(14)22(17)13-7-6-8-13/h9-11,13,24H,6-8H2,1-5H3,(H,20,21,23)
InChIKeyAJFYQDYFQAMJAP-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.97
Rot. Bonds3

About N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide

N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 118938286) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
PubChem CID118938286
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CCC1
InChIInChI=1S/C19H27N3O2/c1-18(2,3)16(23)21-17-20-14-10-9-12(19(4,5)24)11-15(14)22(17)13-7-6-8-13/h9-11,13,24H,6-8H2,1-5H3,(H,20,21,23)
InChIKeyAJFYQDYFQAMJAP-UHFFFAOYSA-N
XLogP3.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide (CID 118938286) is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is AJFYQDYFQAMJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-18(2,3)16(23)21-17-20-14-10-9-12(19(4,5)24)11-15(14)22(17)13-7-6-8-13/h9-11,13,24H,6-8H2,1-5H3,(H,20,21,23).
What are the key properties of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide?
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 329.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118938286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).