1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one

C12H14N2O2 — CID 59900847

IUPAC1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(O)c2nc[nH]c2c1
InChIInChI=1S/C12H14N2O2/c1-12(2,3)11(16)7-4-8-10(9(15)5-7)14-6-13-8/h4-6,15H,1-3H3,(H,13,14)
InChIKeyRHTFURRMVBBXMD-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.50
Rot. Bonds1

About 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one

1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 59900847) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one
PubChem CID59900847
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc(O)c2nc[nH]c2c1
InChIInChI=1S/C12H14N2O2/c1-12(2,3)11(16)7-4-8-10(9(15)5-7)14-6-13-8/h4-6,15H,1-3H3,(H,13,14)
InChIKeyRHTFURRMVBBXMD-UHFFFAOYSA-N
XLogP2.50
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one
CID 58252562
2,2-dimethyl-1-(3,4,5-trihydroxyphenyl)propan-1-one
CID 59932058
6-(trifluoromethoxy)-1H-benzimidazol-4-ol
CID 131326188
1H-benzimidazol-4-ol;hydrobromide
CID 23367367
6-sulfanyl-1H-benzimidazole-4-carbonyl chloride
CID 131190477
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
1-[3-(1H-imidazol-5-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58252487
3-(1H-benzimidazol-4-yl)-3-methylbutanoic acid
CID 117310850
ethyl 7-(chloromethyl)-3H-benzimidazole-5-carboxylate
CID 131449398
7-(trifluoromethoxy)-3H-benzimidazol-5-ol
CID 131326183
2-(1H-benzimidazol-4-yl)propan-2-ol
CID 117277327
N'-(2,2-dimethylpropanoyl)-4-fluoro-1H-benzimidazole-5-carbohydrazide
CID 154843738

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one (CID 59900847) is 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc(O)c2nc[nH]c2c1.
What is the InChIKey of 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is RHTFURRMVBBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,3)11(16)7-4-8-10(9(15)5-7)14-6-13-8/h4-6,15H,1-3H3,(H,13,14).
What are the key properties of 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one?
1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 218.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59900847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).