3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one

C13H19N3O — CID 154227421

IUPAC3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one
SMILESCCC(n1c(=O)[nH]c2ccccc21)C(C)(C)N
InChIInChI=1S/C13H19N3O/c1-4-11(13(2,3)14)16-10-8-6-5-7-9(10)15-12(16)17/h5-8,11H,4,14H2,1-3H3,(H,15,17)
InChIKeyJRORHKFRYBFLAZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.02
Rot. Bonds3

About 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one

3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one (PubChem CID 154227421) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one
PubChem CID154227421
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one
SMILESCCC(n1c(=O)[nH]c2ccccc21)C(C)(C)N
InChIInChI=1S/C13H19N3O/c1-4-11(13(2,3)14)16-10-8-6-5-7-9(10)15-12(16)17/h5-8,11H,4,14H2,1-3H3,(H,15,17)
InChIKeyJRORHKFRYBFLAZ-UHFFFAOYSA-N
XLogP2.02
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2,4,4-tetramethylpentan-3-yl)-1H-benzimidazol-2-one
CID 20720849
3-[(2S,3S)-2-methoxypentan-3-yl]-1H-benzimidazol-2-one
CID 178002555
3-(2-oxo-3H-benzimidazol-1-yl)hexanoic acid
CID 70277464
3-(2-methylbutan-2-yl)-1H-benzimidazol-2-one
CID 129212514
3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one
CID 10442968
3-[4-[ethyl(methyl)amino]butan-2-yl]-1H-benzimidazol-2-one
CID 70938204
3-(4-iminobutan-2-yl)-1H-benzimidazol-2-one
CID 174436862
3-(2-aminopropyl)-1H-benzimidazol-2-one
CID 13174707
3-[3-(2-amino-2-methylbutoxy)propyl]-1H-benzimidazol-2-one
CID 106938306
3-[3-(2-amino-2-methylpropoxy)propyl]-1H-benzimidazol-2-one
CID 106938183
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
3-butan-2-yl-5-methyl-1H-benzimidazol-2-one
CID 163842228

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one (CID 154227421) is 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one is CCC(n1c(=O)[nH]c2ccccc21)C(C)(C)N.
What is the InChIKey of 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one?
The InChIKey is JRORHKFRYBFLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-11(13(2,3)14)16-10-8-6-5-7-9(10)15-12(16)17/h5-8,11H,4,14H2,1-3H3,(H,15,17).
What are the key properties of 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one?
3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpentan-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 154227421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).