6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one

C11H14ClN3O — CID 83898652

IUPAC6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one
SMILESCC(CN)c1cc(Cl)c2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C11H14ClN3O/c1-6(5-13)7-3-8(12)10-9(4-7)14-11(16)15(10)2/h3-4,6H,5,13H2,1-2H3,(H,14,16)
InChIKeyDXBOGKROSNOJSY-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.58
Rot. Bonds2

About 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one

6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one (PubChem CID 83898652) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one
PubChem CID83898652
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one
SMILESCC(CN)c1cc(Cl)c2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C11H14ClN3O/c1-6(5-13)7-3-8(12)10-9(4-7)14-11(16)15(10)2/h3-4,6H,5,13H2,1-2H3,(H,14,16)
InChIKeyDXBOGKROSNOJSY-UHFFFAOYSA-N
XLogP1.58
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one (CID 83898652) is 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one is CC(CN)c1cc(Cl)c2c(c1)[nH]c(=O)n2C.
What is the InChIKey of 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one?
The InChIKey is DXBOGKROSNOJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-6(5-13)7-3-8(12)10-9(4-7)14-11(16)15(10)2/h3-4,6H,5,13H2,1-2H3,(H,14,16).
What are the key properties of 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one?
6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 83898652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).