N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

C16H23N3O2 — CID 110899560

IUPACN-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)CCNC(=O)Cn1c(CO)nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-16(2,3)8-9-17-15(21)10-19-13-7-5-4-6-12(13)18-14(19)11-20/h4-7,20H,8-11H2,1-3H3,(H,17,21)
InChIKeyYKNSLLYYTJXEBZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.08
Rot. Bonds5

About N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 110899560) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
PubChem CID110899560
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)CCNC(=O)Cn1c(CO)nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-16(2,3)8-9-17-15(21)10-19-13-7-5-4-6-12(13)18-14(19)11-20/h4-7,20H,8-11H2,1-3H3,(H,17,21)
InChIKeyYKNSLLYYTJXEBZ-UHFFFAOYSA-N
XLogP2.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4566508
tert-butyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 110885675
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873
3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119140155
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
N-(3-aminobutyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119495678
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 17030947
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (CID 110899560) is N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is CC(C)(C)CCNC(=O)Cn1c(CO)nc2ccccc21.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is YKNSLLYYTJXEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)8-9-17-15(21)10-19-13-7-5-4-6-12(13)18-14(19)11-20/h4-7,20H,8-11H2,1-3H3,(H,17,21).
What are the key properties of N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 110899560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).