3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one

C11H14N2O2 — CID 10442968

IUPAC3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one
SMILESCOCC(C)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C11H14N2O2/c1-8(7-15-2)13-10-6-4-3-5-9(10)12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14)
InChIKeyWLAKUYXFSFHHBV-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.54
Rot. Bonds3

About 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one

3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one (PubChem CID 10442968) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one
PubChem CID10442968
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one
SMILESCOCC(C)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C11H14N2O2/c1-8(7-15-2)13-10-6-4-3-5-9(10)12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14)
InChIKeyWLAKUYXFSFHHBV-UHFFFAOYSA-N
XLogP1.54
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methoxypropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82781664
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-[4-[ethyl(methyl)amino]butan-2-yl]-1H-benzimidazol-2-one
CID 70938204
3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one
CID 20720849
3-[(2S)-1-methoxypropan-2-yl]-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]quinazolin-4-one
CID 2686041
3-(2-aminopropyl)-1H-benzimidazol-2-one
CID 13174707
3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one
CID 154227421
3-(2-oxo-3H-benzimidazol-1-yl)hexanoic acid
CID 70277464
1-(1-methoxypropan-2-yl)-2-methylindole
CID 70527172
3-(2-ethyl-5-methoxyhexyl)-1H-benzimidazol-2-one
CID 167055870
3-butan-2-yl-5-methyl-1H-benzimidazol-2-one
CID 163842228

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one (CID 10442968) is 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one is COCC(C)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one?
The InChIKey is WLAKUYXFSFHHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(7-15-2)13-10-6-4-3-5-9(10)12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14).
What are the key properties of 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one?
3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 10442968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).