N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide

C13H17N3O2 — CID 115140312

IUPACN-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide
SMILESCC(C)(CNC(=O)CO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,7-14-12(18)6-17)9-3-4-10-11(5-9)16-8-15-10/h3-5,8,17H,6-7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyKLBDJFYQFIVGMN-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.95
Rot. Bonds4

About N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide

N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide (PubChem CID 115140312) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide
PubChem CID115140312
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide
SMILESCC(C)(CNC(=O)CO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,7-14-12(18)6-17)9-3-4-10-11(5-9)16-8-15-10/h3-5,8,17H,6-7H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyKLBDJFYQFIVGMN-UHFFFAOYSA-N
XLogP0.95
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195641
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
CID 110748284
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide
CID 115140275
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride
CID 116866400
4-(3H-benzimidazole-5-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002921
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620
1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341
2-hydroxy-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]acetamide
CID 115140296
methyl 3-(3H-benzimidazol-5-yl)-2,2-dimethylpropanoate
CID 116927586

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide (CID 115140312) is N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide is CC(C)(CNC(=O)CO)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide?
The InChIKey is KLBDJFYQFIVGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,7-14-12(18)6-17)9-3-4-10-11(5-9)16-8-15-10/h3-5,8,17H,6-7H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide?
N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide has a molecular weight of 247.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]-2-hydroxyacetamide is sourced from PubChem (CID 115140312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).