3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one

C16H24N2O — CID 20720849

IUPAC3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one
SMILESCC(C)(C)C(n1c(=O)[nH]c2ccccc21)C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-15(2,3)13(16(4,5)6)18-12-10-8-7-9-11(12)17-14(18)19/h7-10,13H,1-6H3,(H,17,19)
InChIKeyVZBRNYIEJIXYBF-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.96
Rot. Bonds1

About 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one

3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one (PubChem CID 20720849) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one
PubChem CID20720849
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one
SMILESCC(C)(C)C(n1c(=O)[nH]c2ccccc21)C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-15(2,3)13(16(4,5)6)18-12-10-8-7-9-11(12)17-14(18)19/h7-10,13H,1-6H3,(H,17,19)
InChIKeyVZBRNYIEJIXYBF-UHFFFAOYSA-N
XLogP3.96
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one
CID 154227421
3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one
CID 10442968
3-(4-iminobutan-2-yl)-1H-benzimidazol-2-one
CID 174436862
3-[(2S,3S)-2-methoxypentan-3-yl]-1H-benzimidazol-2-one
CID 178002555
3-(2-methylbutan-2-yl)-1H-benzimidazol-2-one
CID 129212514
3-(2-oxo-3H-benzimidazol-1-yl)hexanoic acid
CID 70277464
3-[4-[ethyl(methyl)amino]butan-2-yl]-1H-benzimidazol-2-one
CID 70938204
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
3-(2-aminopropyl)-1H-benzimidazol-2-one
CID 13174707
3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one
CID 45078185
3-(trifluoromethoxy)-1H-benzimidazol-2-one
CID 90716289
2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 10584064

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one (CID 20720849) is 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one is CC(C)(C)C(n1c(=O)[nH]c2ccccc21)C(C)(C)C.
What is the InChIKey of 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one?
The InChIKey is VZBRNYIEJIXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2,3)13(16(4,5)6)18-12-10-8-7-9-11(12)17-14(18)19/h7-10,13H,1-6H3,(H,17,19).
What are the key properties of 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one?
3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 20720849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).